5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide

C17H16N4O — CID 25343532

IUPAC5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccncc3)c2C)c1
InChIInChI=1S/C17H16N4O/c1-12-4-3-5-15(10-12)21-13(2)16(11-19-21)17(22)20-14-6-8-18-9-7-14/h3-11H,1-2H3,(H,18,20,22)
InChIKeyACLWZMQEOUFSJM-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

About 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 25343532) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID25343532
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccncc3)c2C)c1
InChIInChI=1S/C17H16N4O/c1-12-4-3-5-15(10-12)21-13(2)16(11-19-21)17(22)20-14-6-8-18-9-7-14/h3-11H,1-2H3,(H,18,20,22)
InChIKeyACLWZMQEOUFSJM-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 36704468
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46427978
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 47079383
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456405
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 33041157
N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18208842
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide (CID 25343532) is 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)Nc3ccncc3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is ACLWZMQEOUFSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-4-3-5-15(10-12)21-13(2)16(11-19-21)17(22)20-14-6-8-18-9-7-14/h3-11H,1-2H3,(H,18,20,22).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25343532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).