3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid

C18H21N3O3 — CID 120535538

IUPAC3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2ccnn2C2CCCC2)c1
InChIInChI=1S/C18H21N3O3/c22-17(16-9-11-20-21(16)15-6-1-2-7-15)19-10-8-13-4-3-5-14(12-13)18(23)24/h3-5,9,11-12,15H,1-2,6-8,10H2,(H,19,22)(H,23,24)
InChIKeyQRQXSAYFUHIUGV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.67
Rot. Bonds6

About 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid

3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid (PubChem CID 120535538) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
PubChem CID120535538
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2ccnn2C2CCCC2)c1
InChIInChI=1S/C18H21N3O3/c22-17(16-9-11-20-21(16)15-6-1-2-7-15)19-10-8-13-4-3-5-14(12-13)18(23)24/h3-5,9,11-12,15H,1-2,6-8,10H2,(H,19,22)(H,23,24)
InChIKeyQRQXSAYFUHIUGV-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
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3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid (CID 120535538) is 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)c2ccnn2C2CCCC2)c1.
What is the InChIKey of 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is QRQXSAYFUHIUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(16-9-11-20-21(16)15-6-1-2-7-15)19-10-8-13-4-3-5-14(12-13)18(23)24/h3-5,9,11-12,15H,1-2,6-8,10H2,(H,19,22)(H,23,24).
What are the key properties of 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 120535538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).