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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C72H108N14O2 — CID 157479680

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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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(OC2CC2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC)cc1
InChIInChI=1S/C19H30N4.C18H28N4.C18H25N3O.C17H25N3O/c1-5-6-11-23(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;1-3-4-11-21(2)13-15-12-19-20-18(15)14-5-7-16(8-6-14)22-17-9-10-17;1-4-6-11-20(3)13-15-12-18-19-17(15)14-7-9-16(10-8-14)21-5-2/h7-10,13,15,20H,5-6,11-12,14H2,1-4H3,(H,21,22);7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,19,21);5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,19,20);7-10,12H,4-6,11,13H2,1-3H3,(H,18,19)
InChIKeyBWAFFJFUSBTULN-UHFFFAOYSA-N
MW1201.75 g/mol
LogP16.06
Rot. Bonds33

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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 157479680) has the molecular formula C72H108N14O2 and a molecular weight of 1201.75 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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID157479680
Molecular FormulaC72H108N14O2
Molecular Weight1201.75 g/mol
Exact Mass1200.88
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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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(OC2CC2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC)cc1
InChIInChI=1S/C19H30N4.C18H28N4.C18H25N3O.C17H25N3O/c1-5-6-11-23(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;1-3-4-11-21(2)13-15-12-19-20-18(15)14-5-7-16(8-6-14)22-17-9-10-17;1-4-6-11-20(3)13-15-12-18-19-17(15)14-7-9-16(10-8-14)21-5-2/h7-10,13,15,20H,5-6,11-12,14H2,1-4H3,(H,21,22);7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,19,21);5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,19,20);7-10,12H,4-6,11,13H2,1-3H3,(H,18,19)
InChIKeyBWAFFJFUSBTULN-UHFFFAOYSA-N
XLogP16.06
TPSA170.20 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001201.75
LogP ≤ 516.06
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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 157479680) 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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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(OC2CC2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC)cc1.
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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is BWAFFJFUSBTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4.C18H28N4.C18H25N3O.C17H25N3O/c1-5-6-11-23(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;1-3-4-11-21(2)13-15-12-19-20-18(15)14-5-7-16(8-6-14)22-17-9-10-17;1-4-6-11-20(3)13-15-12-18-19-17(15)14-7-9-16(10-8-14)21-5-2/h7-10,13,15,20H,5-6,11-12,14H2,1-4H3,(H,21,22);7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,19,21);5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,19,20);7-10,12H,4-6,11,13H2,1-3H3,(H,18,19).
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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1201.75 g/mol, XLogP of 16.06, 33 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-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 157479680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).