4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C77H108F2N14O2 — CID 158077746

IUPAC4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NCC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC2CC2)c(F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C21H24FN3O.C19H26FN3O.C19H30N4.C18H28N4/c1-3-4-12-25(2)15-17-14-23-24-21(17)16-10-11-20(19(22)13-16)26-18-8-6-5-7-9-18;1-3-4-9-23(2)12-16-11-21-22-19(16)15-7-8-18(17(20)10-15)24-13-14-5-6-14;1-5-6-11-23(4)14-17-13-21-22-19(17)16-7-9-18(10-8-16)20-12-15(2)3;1-5-6-11-22(4)13-16-12-19-21-18(16)15-7-9-17(10-8-15)20-14(2)3/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,21,22);7-10,13,15,20H,5-6,11-12,14H2,1-4H3,(H,21,22);7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,19,21)
InChIKeyFMOQRYGHDXAMSI-UHFFFAOYSA-N
MW1299.80 g/mol
LogP17.98
Rot. Bonds34

About 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 158077746) has the molecular formula C77H108F2N14O2 and a molecular weight of 1299.80 g/mol. Its IUPAC name is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID158077746
Molecular FormulaC77H108F2N14O2
Molecular Weight1299.80 g/mol
Exact Mass1298.87
IUPAC Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NCC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC2CC2)c(F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C21H24FN3O.C19H26FN3O.C19H30N4.C18H28N4/c1-3-4-12-25(2)15-17-14-23-24-21(17)16-10-11-20(19(22)13-16)26-18-8-6-5-7-9-18;1-3-4-9-23(2)12-16-11-21-22-19(16)15-7-8-18(17(20)10-15)24-13-14-5-6-14;1-5-6-11-23(4)14-17-13-21-22-19(17)16-7-9-18(10-8-16)20-12-15(2)3;1-5-6-11-22(4)13-16-12-19-21-18(16)15-7-9-17(10-8-15)20-14(2)3/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,21,22);7-10,13,15,20H,5-6,11-12,14H2,1-4H3,(H,21,22);7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,19,21)
InChIKeyFMOQRYGHDXAMSI-UHFFFAOYSA-N
XLogP17.98
TPSA170.20 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.80
LogP ≤ 517.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 158077746) is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NCC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC2CC2)c(F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is FMOQRYGHDXAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O.C19H26FN3O.C19H30N4.C18H28N4/c1-3-4-12-25(2)15-17-14-23-24-21(17)16-10-11-20(19(22)13-16)26-18-8-6-5-7-9-18;1-3-4-9-23(2)12-16-11-21-22-19(16)15-7-8-18(17(20)10-15)24-13-14-5-6-14;1-5-6-11-23(4)14-17-13-21-22-19(17)16-7-9-18(10-8-16)20-12-15(2)3;1-5-6-11-22(4)13-16-12-19-21-18(16)15-7-9-17(10-8-15)20-14(2)3/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,21,22);7-10,13,15,20H,5-6,11-12,14H2,1-4H3,(H,21,22);7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,19,21).
What are the key properties of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1299.80 g/mol, XLogP of 17.98, 34 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)aniline;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylaniline;N-[[5-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 158077746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).