1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid

C38H38N8O3 — CID 158551908

IUPAC1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid
SMILESCc1ccc(-n2ccc(N)n2)cn1.Cc1ccc(-n2ccc(NC(=O)C3(c4ccccc4)CC3)n2)cn1.O=C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O.C10H10O2.C9H10N4/c1-14-7-8-16(13-20-14)23-12-9-17(22-23)21-18(24)19(10-11-19)15-5-3-2-4-6-15;11-9(12)10(6-7-10)8-4-2-1-3-5-8;1-7-2-3-8(6-11-7)13-5-4-9(10)12-13/h2-9,12-13H,10-11H2,1H3,(H,21,22,24);1-5H,6-7H2,(H,11,12);2-6H,1H3,(H2,10,12)
InChIKeyHPVBYVWCPJGOOF-UHFFFAOYSA-N
MW654.77 g/mol
LogP6.21
Rot. Bonds7

About 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid

1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid (PubChem CID 158551908) has the molecular formula C38H38N8O3 and a molecular weight of 654.77 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid
PubChem CID158551908
Molecular FormulaC38H38N8O3
Molecular Weight654.77 g/mol
Exact Mass654.31
IUPAC Name1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid
SMILESCc1ccc(-n2ccc(N)n2)cn1.Cc1ccc(-n2ccc(NC(=O)C3(c4ccccc4)CC3)n2)cn1.O=C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O.C10H10O2.C9H10N4/c1-14-7-8-16(13-20-14)23-12-9-17(22-23)21-18(24)19(10-11-19)15-5-3-2-4-6-15;11-9(12)10(6-7-10)8-4-2-1-3-5-8;1-7-2-3-8(6-11-7)13-5-4-9(10)12-13/h2-9,12-13H,10-11H2,1H3,(H,21,22,24);1-5H,6-7H2,(H,11,12);2-6H,1H3,(H2,10,12)
InChIKeyHPVBYVWCPJGOOF-UHFFFAOYSA-N
XLogP6.21
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

US10030027, Example 22A
CID 129242619
US10030027, Example 114A
CID 129242650
US10030027, Example 21B
CID 129242977
US10030027, Example 148A
CID 129242994
US11365185, Example 13B
CID 137534625
US11365185, Example 21B
CID 137534695
US11365185, Example 4B
CID 137534730
US11365185, Example 12B
CID 137546536
US10030027, Example 210B
CID 129242683
US10030027, Example 14B
CID 129243328
US11365185, Example 15B
CID 137525770
US11365185, Example 19B
CID 137534641

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid (CID 158551908) is 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid is Cc1ccc(-n2ccc(N)n2)cn1.Cc1ccc(-n2ccc(NC(=O)C3(c4ccccc4)CC3)n2)cn1.O=C(O)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
The InChIKey is HPVBYVWCPJGOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C10H10O2.C9H10N4/c1-14-7-8-16(13-20-14)23-12-9-17(22-23)21-18(24)19(10-11-19)15-5-3-2-4-6-15;11-9(12)10(6-7-10)8-4-2-1-3-5-8;1-7-2-3-8(6-11-7)13-5-4-9(10)12-13/h2-9,12-13H,10-11H2,1H3,(H,21,22,24);1-5H,6-7H2,(H,11,12);2-6H,1H3,(H2,10,12).
What are the key properties of 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid has a molecular weight of 654.77 g/mol, XLogP of 6.21, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)pyrazol-3-amine;N-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 158551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).