4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid

C12H17N3O3 — CID 119352510

IUPAC4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCn1ncc(C(=O)NCCCC(=O)O)c1C1CC1
InChIInChI=1S/C12H17N3O3/c1-15-11(8-4-5-8)9(7-14-15)12(18)13-6-2-3-10(16)17/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeySVCIGKADEJCMPW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.89
Rot. Bonds6

About 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid

4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 119352510) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID119352510
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCn1ncc(C(=O)NCCCC(=O)O)c1C1CC1
InChIInChI=1S/C12H17N3O3/c1-15-11(8-4-5-8)9(7-14-15)12(18)13-6-2-3-10(16)17/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeySVCIGKADEJCMPW-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid
CID 83830722
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
5-cyclopropyl-N-(6-cyclopropylpyridazin-3-yl)-1-methylpyrazole-4-carboxamide
CID 127326975
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
1-methyl-5-(thian-4-yl)pyrazole-4-carboxylic acid
CID 105483999
2-[2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526692
3-[[3-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 120526348
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid (CID 119352510) is 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid is Cn1ncc(C(=O)NCCCC(=O)O)c1C1CC1.
What is the InChIKey of 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is SVCIGKADEJCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-11(8-4-5-8)9(7-14-15)12(18)13-6-2-3-10(16)17/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119352510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).