(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid

C12H19N3O3 — CID 97209644

IUPAC(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCCCc1cc(C(=O)N[C@H](C(=O)O)C(C)C)n[nH]1
InChIInChI=1S/C12H19N3O3/c1-4-5-8-6-9(15-14-8)11(16)13-10(7(2)3)12(17)18/h6-7,10H,4-5H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)/t10-/m0/s1
InChIKeyOGKHWKIOJFQZFK-JTQLQIEISA-N
MW253.30 g/mol
LogP1.20
Rot. Bonds6

About (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid

(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid (PubChem CID 97209644) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
PubChem CID97209644
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCCCc1cc(C(=O)N[C@H](C(=O)O)C(C)C)n[nH]1
InChIInChI=1S/C12H19N3O3/c1-4-5-8-6-9(15-14-8)11(16)13-10(7(2)3)12(17)18/h6-7,10H,4-5H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)/t10-/m0/s1
InChIKeyOGKHWKIOJFQZFK-JTQLQIEISA-N
XLogP1.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
(2S)-2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110835220
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 95615872
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450
5-propyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1H-pyrazole-3-carboxamide
CID 97118223
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide
CID 124864238
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid (CID 97209644) is (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid is CCCc1cc(C(=O)N[C@H](C(=O)O)C(C)C)n[nH]1.
What is the InChIKey of (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The InChIKey is OGKHWKIOJFQZFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-8-6-9(15-14-8)11(16)13-10(7(2)3)12(17)18/h6-7,10H,4-5H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 97209644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).