3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C110H154N22O6 — CID 159162126

IUPAC3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(CO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(O)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(C#N)c1.CCCCN(C)Cc1cn[nH]c1-c1cccc(O)c1.CCCCN(C)Cc1cn[nH]c1-c1cccc(OC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccccc1OC
InChIInChI=1S/C16H20N4.4C16H23N3O.2C15H21N3O/c1-3-4-8-20(2)12-15-11-18-19-16(15)14-7-5-6-13(9-14)10-17;1-4-5-10-19(2)12-14-11-17-18-16(14)13-6-8-15(20-3)9-7-13;1-4-5-10-19(2)12-13-11-17-18-16(13)14-8-6-7-9-15(14)20-3;1-4-5-9-19(2)12-14-11-17-18-16(14)13-7-6-8-15(10-13)20-3;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12;1-3-4-8-18(2)11-13-10-16-17-15(13)12-6-5-7-14(19)9-12/h5-7,9,11H,3-4,8,12H2,1-2H3,(H,18,19);2*6-9,11H,4-5,10,12H2,1-3H3,(H,17,18);6-8,10-11H,4-5,9,12H2,1-3H3,(H,17,18);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);5-8,10,19H,3-4,9,11H2,1-2H3,(H,16,17);5-7,9-10,19H,3-4,8,11H2,1-2H3,(H,16,17)
InChIKeyKKPQSMOSZWPFTP-UHFFFAOYSA-N
MW1880.59 g/mol
LogP21.96
Rot. Bonds46

About 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 159162126) has the molecular formula C110H154N22O6 and a molecular weight of 1880.59 g/mol. Its IUPAC name is 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID159162126
Molecular FormulaC110H154N22O6
Molecular Weight1880.59 g/mol
Exact Mass1879.24
IUPAC Name3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(CO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(O)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(C#N)c1.CCCCN(C)Cc1cn[nH]c1-c1cccc(O)c1.CCCCN(C)Cc1cn[nH]c1-c1cccc(OC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccccc1OC
InChIInChI=1S/C16H20N4.4C16H23N3O.2C15H21N3O/c1-3-4-8-20(2)12-15-11-18-19-16(15)14-7-5-6-13(9-14)10-17;1-4-5-10-19(2)12-14-11-17-18-16(14)13-6-8-15(20-3)9-7-13;1-4-5-10-19(2)12-13-11-17-18-16(13)14-8-6-7-9-15(14)20-3;1-4-5-9-19(2)12-14-11-17-18-16(14)13-7-6-8-15(10-13)20-3;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12;1-3-4-8-18(2)11-13-10-16-17-15(13)12-6-5-7-14(19)9-12/h5-7,9,11H,3-4,8,12H2,1-2H3,(H,18,19);2*6-9,11H,4-5,10,12H2,1-3H3,(H,17,18);6-8,10-11H,4-5,9,12H2,1-3H3,(H,17,18);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);5-8,10,19H,3-4,9,11H2,1-2H3,(H,16,17);5-7,9-10,19H,3-4,8,11H2,1-2H3,(H,16,17)
InChIKeyKKPQSMOSZWPFTP-UHFFFAOYSA-N
XLogP21.96
TPSA335.61 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.59
LogP ≤ 521.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine with MolForge

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Related Compounds

4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 146733715
3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 86303224
[3-[2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethoxy]phenyl]methanol;N-[[5-[3-(1-fluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 157463158
N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 162290999
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
3-[1-[3-methoxy-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]-4-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyrazol-3-yl]benzonitrile
CID 123986017
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
N-[[5-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158486957
3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide
CID 162276236
N-methyl-N-[[5-[4-[2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 158645742
4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305743

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 159162126) is 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(CO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(O)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(C#N)c1.CCCCN(C)Cc1cn[nH]c1-c1cccc(O)c1.CCCCN(C)Cc1cn[nH]c1-c1cccc(OC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccccc1OC.
What is the InChIKey of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is KKPQSMOSZWPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.4C16H23N3O.2C15H21N3O/c1-3-4-8-20(2)12-15-11-18-19-16(15)14-7-5-6-13(9-14)10-17;1-4-5-10-19(2)12-14-11-17-18-16(14)13-6-8-15(20-3)9-7-13;1-4-5-10-19(2)12-13-11-17-18-16(13)14-8-6-7-9-15(14)20-3;1-4-5-9-19(2)12-14-11-17-18-16(14)13-7-6-8-15(10-13)20-3;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12;1-3-4-8-18(2)11-13-10-16-17-15(13)12-6-5-7-14(19)9-12/h5-7,9,11H,3-4,8,12H2,1-2H3,(H,18,19);2*6-9,11H,4-5,10,12H2,1-3H3,(H,17,18);6-8,10-11H,4-5,9,12H2,1-3H3,(H,17,18);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);5-8,10,19H,3-4,9,11H2,1-2H3,(H,16,17);5-7,9-10,19H,3-4,8,11H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1880.59 g/mol, XLogP of 21.96, 46 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 159162126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).