5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C21H23N5O2 — CID 46546318

IUPAC5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H23N5O2/c1-14(2)12-20(27)24-16-7-9-17(10-8-16)25-21(28)18-13-23-26(15(18)3)19-6-4-5-11-22-19/h4-11,13-14H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYOEMYRKOKKISEQ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.81
Rot. Bonds6

About 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 46546318) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID46546318
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H23N5O2/c1-14(2)12-20(27)24-16-7-9-17(10-8-16)25-21(28)18-13-23-26(15(18)3)19-6-4-5-11-22-19/h4-11,13-14H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYOEMYRKOKKISEQ-UHFFFAOYSA-N
XLogP3.81
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
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CID 108793466
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108805329
[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 46546318) is 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is YOEMYRKOKKISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(2)12-20(27)24-16-7-9-17(10-8-16)25-21(28)18-13-23-26(15(18)3)19-6-4-5-11-22-19/h4-11,13-14H,12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46546318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).