3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid

C19H23N3O3 — CID 86782572

IUPAC3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1ccn(C2CCCC2)n1
InChIInChI=1S/C19H23N3O3/c1-13-6-2-5-9-15(13)17(12-18(23)24)20-19(25)16-10-11-22(21-16)14-7-3-4-8-14/h2,5-6,9-11,14,17H,3-4,7-8,12H2,1H3,(H,20,25)(H,23,24)
InChIKeyHUOXHKNQNGMHGT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.25
Rot. Bonds6

About 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid

3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 86782572) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
PubChem CID86782572
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1ccn(C2CCCC2)n1
InChIInChI=1S/C19H23N3O3/c1-13-6-2-5-9-15(13)17(12-18(23)24)20-19(25)16-10-11-22(21-16)14-7-3-4-8-14/h2,5-6,9-11,14,17H,3-4,7-8,12H2,1H3,(H,20,25)(H,23,24)
InChIKeyHUOXHKNQNGMHGT-UHFFFAOYSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(2-cyclopentyl-3-oxo-1H-pyrazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 90093650
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 99851518
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
(3S)-3-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 98271190
(3S)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71458888
3-[(1-benzyl-5-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71269586
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71268833
1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548381
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
3-(2-ethylbutanoylamino)-3-(2-methylphenyl)propanoic acid
CID 120606642

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid (CID 86782572) is 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC(=O)O)NC(=O)c1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is HUOXHKNQNGMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-6-2-5-9-15(13)17(12-18(23)24)20-19(25)16-10-11-22(21-16)14-7-3-4-8-14/h2,5-6,9-11,14,17H,3-4,7-8,12H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 86782572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).