5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide

C14H21N5O2 — CID 122141640

IUPAC5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)Nc2c(C)[nH][nH]c2=O)c1C
InChIInChI=1S/C14H21N5O2/c1-5-10(6-2)19-9(4)11(7-15-19)13(20)16-12-8(3)17-18-14(12)21/h7,10H,5-6H2,1-4H3,(H,16,20)(H2,17,18,21)
InChIKeyXKJLOSFMGZAAIK-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.13
Rot. Bonds5

About 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide

5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 122141640) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
PubChem CID122141640
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)Nc2c(C)[nH][nH]c2=O)c1C
InChIInChI=1S/C14H21N5O2/c1-5-10(6-2)19-9(4)11(7-15-19)13(20)16-12-8(3)17-18-14(12)21/h7,10H,5-6H2,1-4H3,(H,16,20)(H2,17,18,21)
InChIKeyXKJLOSFMGZAAIK-UHFFFAOYSA-N
XLogP2.13
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
2-chloro-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515659
5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide
CID 75390413
5-methyl-N-(3-methylimidazo[1,2-a]pyridin-2-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141358
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide (CID 122141640) is 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)n1ncc(C(=O)Nc2c(C)[nH][nH]c2=O)c1C.
What is the InChIKey of 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is XKJLOSFMGZAAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-10(6-2)19-9(4)11(7-15-19)13(20)16-12-8(3)17-18-14(12)21/h7,10H,5-6H2,1-4H3,(H,16,20)(H2,17,18,21).
What are the key properties of 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide?
5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 122141640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).