5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid

C16H19N3O4 — CID 119234819

IUPAC5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C16H19N3O4/c1-23-13-11-19(12-7-3-2-4-8-12)18-15(13)16(22)17-10-6-5-9-14(20)21/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyMFCQIGKSVFCNRO-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.87
Rot. Bonds8

About 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid

5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 119234819) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID119234819
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C16H19N3O4/c1-23-13-11-19(12-7-3-2-4-8-12)18-15(13)16(22)17-10-6-5-9-14(20)21/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyMFCQIGKSVFCNRO-UHFFFAOYSA-N
XLogP1.87
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204212
N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337
4-methoxy-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-1-phenylpyrazole-3-carboxamide
CID 47034464
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid (CID 119234819) is 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid is COc1cn(-c2ccccc2)nc1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is MFCQIGKSVFCNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-23-13-11-19(12-7-3-2-4-8-12)18-15(13)16(22)17-10-6-5-9-14(20)21/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119234819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).