4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid

C16H19N3O3 — CID 119203940

IUPAC4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H19N3O3/c1-16(2,9-8-14(20)21)18-15(22)12-4-6-13(7-5-12)19-11-3-10-17-19/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyFYBCSLVGAGTZMY-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds6

About 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid

4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid (PubChem CID 119203940) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
PubChem CID119203940
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H19N3O3/c1-16(2,9-8-14(20)21)18-15(22)12-4-6-13(7-5-12)19-11-3-10-17-19/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyFYBCSLVGAGTZMY-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 64671459
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate
CID 99787483
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204212

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid (CID 119203940) is 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid?
The InChIKey is FYBCSLVGAGTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,9-8-14(20)21)18-15(22)12-4-6-13(7-5-12)19-11-3-10-17-19/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid?
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119203940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).