N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C74H103ClF2N16O — CID 157073503

IUPACN-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESC=C(CC(C)C)N1CCN(c2ccc(-c3[nH]ncc3CN(C)CCN)cc2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(F)c1.CN(CCCC1CC1)Cc1cn[nH]c1-c1ccc(C#N)cc1
InChIInChI=1S/C23H36N6.C18H26FN3O.C18H22N4.C15H19ClFN3/c1-18(2)15-19(3)28-11-13-29(14-12-28)22-7-5-20(6-8-22)23-21(16-25-26-23)17-27(4)10-9-24;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-22(10-2-3-14-4-5-14)13-17-12-20-21-18(17)16-8-6-15(11-19)7-9-16;1-3-4-7-20(2)10-12-9-18-19-15(12)11-5-6-13(16)14(17)8-11/h5-8,16,18H,3,9-15,17,24H2,1-2,4H3,(H,25,26);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);6-9,12,14H,2-5,10,13H2,1H3,(H,20,21);5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19)
InChIKeyACRWZXPJPLPNOT-UHFFFAOYSA-N
MW1306.20 g/mol
LogP15.06
Rot. Bonds30

About N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 157073503) has the molecular formula C74H103ClF2N16O and a molecular weight of 1306.20 g/mol. Its IUPAC name is N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID157073503
Molecular FormulaC74H103ClF2N16O
Molecular Weight1306.20 g/mol
Exact Mass1304.82
IUPAC NameN-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESC=C(CC(C)C)N1CCN(c2ccc(-c3[nH]ncc3CN(C)CCN)cc2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(F)c1.CN(CCCC1CC1)Cc1cn[nH]c1-c1ccc(C#N)cc1
InChIInChI=1S/C23H36N6.C18H26FN3O.C18H22N4.C15H19ClFN3/c1-18(2)15-19(3)28-11-13-29(14-12-28)22-7-5-20(6-8-22)23-21(16-25-26-23)17-27(4)10-9-24;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-22(10-2-3-14-4-5-14)13-17-12-20-21-18(17)16-8-6-15(11-19)7-9-16;1-3-4-7-20(2)10-12-9-18-19-15(12)11-5-6-13(16)14(17)8-11/h5-8,16,18H,3,9-15,17,24H2,1-2,4H3,(H,25,26);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);6-9,12,14H,2-5,10,13H2,1H3,(H,20,21);5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19)
InChIKeyACRWZXPJPLPNOT-UHFFFAOYSA-N
XLogP15.06
TPSA193.20 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001306.20
LogP ≤ 515.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 157073503) is N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is C=C(CC(C)C)N1CCN(c2ccc(-c3[nH]ncc3CN(C)CCN)cc2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(F)c1.CN(CCCC1CC1)Cc1cn[nH]c1-c1ccc(C#N)cc1.
What is the InChIKey of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is ACRWZXPJPLPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6.C18H26FN3O.C18H22N4.C15H19ClFN3/c1-18(2)15-19(3)28-11-13-29(14-12-28)22-7-5-20(6-8-22)23-21(16-25-26-23)17-27(4)10-9-24;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-22(10-2-3-14-4-5-14)13-17-12-20-21-18(17)16-8-6-15(11-19)7-9-16;1-3-4-7-20(2)10-12-9-18-19-15(12)11-5-6-13(16)14(17)8-11/h5-8,16,18H,3,9-15,17,24H2,1-2,4H3,(H,25,26);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);6-9,12,14H,2-5,10,13H2,1H3,(H,20,21);5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19).
What are the key properties of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 1306.20 g/mol, XLogP of 15.06, 30 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;4-[4-[[3-cyclopropylpropyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[5-[4-[4-(4-methylpent-1-en-2-yl)piperazin-1-yl]phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 157073503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).