2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid

C15H17N3O4 — CID 119223991

IUPAC2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccn(-c2ccc(OC)cc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-3-12(15(20)21)16-14(19)13-8-9-18(17-13)10-4-6-11(22-2)7-5-10/h4-9,12H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyROTDTHBDUIBVOJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.47
Rot. Bonds6

About 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid

2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid (PubChem CID 119223991) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
PubChem CID119223991
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccn(-c2ccc(OC)cc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-3-12(15(20)21)16-14(19)13-8-9-18(17-13)10-4-6-11(22-2)7-5-10/h4-9,12H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyROTDTHBDUIBVOJ-UHFFFAOYSA-N
XLogP1.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361697
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119667825
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
(2S)-4-methyl-2-[[1-(4-nitrophenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 119361349
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119608141
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 60571372

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid (CID 119223991) is 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid is CCC(NC(=O)c1ccn(-c2ccc(OC)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
The InChIKey is ROTDTHBDUIBVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-12(15(20)21)16-14(19)13-8-9-18(17-13)10-4-6-11(22-2)7-5-10/h4-9,12H,3H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119223991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).