4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid

C15H17N3O4 — CID 72910598

IUPAC4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
SMILESCOc1ccc(-c2cc(C(=O)NCCCC(=O)O)[nH]n2)cc1
InChIInChI=1S/C15H17N3O4/c1-22-11-6-4-10(5-7-11)12-9-13(18-17-12)15(21)16-8-2-3-14(19)20/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyVTRJYUMJYJNBOX-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.68
Rot. Bonds7

About 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid

4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid (PubChem CID 72910598) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
PubChem CID72910598
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
SMILESCOc1ccc(-c2cc(C(=O)NCCCC(=O)O)[nH]n2)cc1
InChIInChI=1S/C15H17N3O4/c1-22-11-6-4-10(5-7-11)12-9-13(18-17-12)15(21)16-8-2-3-14(19)20/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyVTRJYUMJYJNBOX-UHFFFAOYSA-N
XLogP1.68
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
4-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119352752
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-[2-(2-hydroxyethoxy)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71713187
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
N-[2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71702732
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid (CID 72910598) is 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid is COc1ccc(-c2cc(C(=O)NCCCC(=O)O)[nH]n2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid?
The InChIKey is VTRJYUMJYJNBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-11-6-4-10(5-7-11)12-9-13(18-17-12)15(21)16-8-2-3-14(19)20/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid?
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid is sourced from PubChem (CID 72910598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).