4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid

C15H15N3O3 — CID 146135721

IUPAC4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1cc(C2CC2)cn1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c19-14(9-18-8-12(7-16-18)10-1-2-10)17-13-5-3-11(4-6-13)15(20)21/h3-8,10H,1-2,9H2,(H,17,19)(H,20,21)
InChIKeyFEVSUBPAMVUPFG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.10
Rot. Bonds5

About 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid

4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid (PubChem CID 146135721) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
PubChem CID146135721
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1cc(C2CC2)cn1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c19-14(9-18-8-12(7-16-18)10-1-2-10)17-13-5-3-11(4-6-13)15(20)21/h3-8,10H,1-2,9H2,(H,17,19)(H,20,21)
InChIKeyFEVSUBPAMVUPFG-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide
CID 166397651
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
4-[[2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetyl]amino]benzoic acid
CID 18555948
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]benzamide
CID 163086944

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid (CID 146135721) is 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid is O=C(Cn1cc(C2CC2)cn1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid?
The InChIKey is FEVSUBPAMVUPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(9-18-8-12(7-16-18)10-1-2-10)17-13-5-3-11(4-6-13)15(20)21/h3-8,10H,1-2,9H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid?
4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 146135721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).