3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C21H22N4O — CID 42820434

IUPAC3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(C3CC3)c(C(=O)NCc3cccnc3)c2C)c1
InChIInChI=1S/C21H22N4O/c1-14-5-3-7-18(11-14)25-15(2)19(20(24-25)17-8-9-17)21(26)23-13-16-6-4-10-22-12-16/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,23,26)
InChIKeyIKOJOPPRIHNTGN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.69
Rot. Bonds5

About 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42820434) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42820434
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(C3CC3)c(C(=O)NCc3cccnc3)c2C)c1
InChIInChI=1S/C21H22N4O/c1-14-5-3-7-18(11-14)25-15(2)19(20(24-25)17-8-9-17)21(26)23-13-16-6-4-10-22-12-16/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,23,26)
InChIKeyIKOJOPPRIHNTGN-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820506
3-cyclopropyl-5-ethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 24712724
3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820483
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108947620
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820244
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42820434) is 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1cccc(-n2nc(C3CC3)c(C(=O)NCc3cccnc3)c2C)c1.
What is the InChIKey of 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is IKOJOPPRIHNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-5-3-7-18(11-14)25-15(2)19(20(24-25)17-8-9-17)21(26)23-13-16-6-4-10-22-12-16/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,23,26).
What are the key properties of 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).