2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid

C14H15N3O3 — CID 60940603

IUPAC2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
SMILESCC(Cn1cccn1)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-10(9-17-8-4-7-15-17)16-13(18)11-5-2-3-6-12(11)14(19)20/h2-8,10H,9H2,1H3,(H,16,18)(H,19,20)
InChIKeySPOSFHHDIJIXJB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.40
Rot. Bonds5

About 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid

2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid (PubChem CID 60940603) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
PubChem CID60940603
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
SMILESCC(Cn1cccn1)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-10(9-17-8-4-7-15-17)16-13(18)11-5-2-3-6-12(11)14(19)20/h2-8,10H,9H2,1H3,(H,16,18)(H,19,20)
InChIKeySPOSFHHDIJIXJB-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid
CID 19496461
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 94028646
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487864

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid (CID 60940603) is 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid is CC(Cn1cccn1)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid?
The InChIKey is SPOSFHHDIJIXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(9-17-8-4-7-15-17)16-13(18)11-5-2-3-6-12(11)14(19)20/h2-8,10H,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid?
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 60940603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).