N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C61H83ClF9N9O2 — CID 158869944

IUPACN-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1[nH]ncc1-c1cc(Cl)c(OC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OCC2CCC2)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C22H30F3N3O.C20H28F3N3.C19H25ClF3N3O/c1-4-5-9-28(3)13-18-12-26-27-20(18)17-10-15(2)21(19(11-17)22(23,24)25)29-14-16-7-6-8-16;1-5-6-9-26(4)13-17-12-24-25-19(17)16-8-7-15(10-14(2)3)18(11-16)20(21,22)23;1-5-6-7-26(4)11-17-14(10-24-25-17)13-8-15(19(21,22)23)18(16(20)9-13)27-12(2)3/h10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,25);8-10,12H,5-7,11H2,1-4H3,(H,24,25)
InChIKeyJBSIICXYZIBEBI-UHFFFAOYSA-N
MW1180.83 g/mol
LogP17.11
Rot. Bonds25

About N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158869944) has the molecular formula C61H83ClF9N9O2 and a molecular weight of 1180.83 g/mol. Its IUPAC name is N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID158869944
Molecular FormulaC61H83ClF9N9O2
Molecular Weight1180.83 g/mol
Exact Mass1179.62
IUPAC NameN-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1[nH]ncc1-c1cc(Cl)c(OC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OCC2CCC2)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C22H30F3N3O.C20H28F3N3.C19H25ClF3N3O/c1-4-5-9-28(3)13-18-12-26-27-20(18)17-10-15(2)21(19(11-17)22(23,24)25)29-14-16-7-6-8-16;1-5-6-9-26(4)13-17-12-24-25-19(17)16-8-7-15(10-14(2)3)18(11-16)20(21,22)23;1-5-6-7-26(4)11-17-14(10-24-25-17)13-8-15(19(21,22)23)18(16(20)9-13)27-12(2)3/h10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,25);8-10,12H,5-7,11H2,1-4H3,(H,24,25)
InChIKeyJBSIICXYZIBEBI-UHFFFAOYSA-N
XLogP17.11
TPSA114.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.83
LogP ≤ 517.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 122180641
N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85473273
N'-[[5-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615929
N'-[[5-[3-chloro-4-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615934
N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615983
N'-[[1-[3-[[2-chloro-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-6-(trifluoromethyl)phenoxy]methyl]cyclobutyl]-3-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 123930024
N'-[[5-[3-chloro-4-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 131982683
N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
CID 144721901
N-[[5-[3-chloro-4-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 148150729
N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine
CID 149417171
N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 157186183
N-[[4-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N'-methyl-N'-[[4-[4-phenoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[4-[4-propoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 157998937

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158869944) is N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1[nH]ncc1-c1cc(Cl)c(OC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OCC2CCC2)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC(C)C)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is JBSIICXYZIBEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O.C20H28F3N3.C19H25ClF3N3O/c1-4-5-9-28(3)13-18-12-26-27-20(18)17-10-15(2)21(19(11-17)22(23,24)25)29-14-16-7-6-8-16;1-5-6-9-26(4)13-17-12-24-25-19(17)16-8-7-15(10-14(2)3)18(11-16)20(21,22)23;1-5-6-7-26(4)11-17-14(10-24-25-17)13-8-15(19(21,22)23)18(16(20)9-13)27-12(2)3/h10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,25);8-10,12H,5-7,11H2,1-4H3,(H,24,25).
What are the key properties of N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1180.83 g/mol, XLogP of 17.11, 25 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(cyclobutylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158869944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).