4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid

C18H23N3O3 — CID 119252819

IUPAC4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(Cn2cccn2)cc1)C(=O)O
InChIInChI=1S/C18H23N3O3/c1-13(2)10-16(18(23)24)11-19-17(22)15-6-4-14(5-7-15)12-21-9-3-8-20-21/h3-9,13,16H,10-12H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyPBQSDLAJQVYKFR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.41
Rot. Bonds8

About 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid

4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid (PubChem CID 119252819) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
PubChem CID119252819
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(Cn2cccn2)cc1)C(=O)O
InChIInChI=1S/C18H23N3O3/c1-13(2)10-16(18(23)24)11-19-17(22)15-6-4-14(5-7-15)12-21-9-3-8-20-21/h3-9,13,16H,10-12H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyPBQSDLAJQVYKFR-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253710
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
CID 174850179
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid (CID 119252819) is 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1ccc(Cn2cccn2)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid?
The InChIKey is PBQSDLAJQVYKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(2)10-16(18(23)24)11-19-17(22)15-6-4-14(5-7-15)12-21-9-3-8-20-21/h3-9,13,16H,10-12H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119252819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).