2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C17H18N4O4 — CID 119180632

IUPAC2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C(=O)Nc1cccc(NC(=O)C2CC2C(=O)O)c1)n1cccn1
InChIInChI=1S/C17H18N4O4/c1-10(21-7-3-6-18-21)15(22)19-11-4-2-5-12(8-11)20-16(23)13-9-14(13)17(24)25/h2-8,10,13-14H,9H2,1H3,(H,19,22)(H,20,23)(H,24,25)
InChIKeyJJVRNKGMLFOLNT-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.74
Rot. Bonds6

About 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119180632) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119180632
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C(=O)Nc1cccc(NC(=O)C2CC2C(=O)O)c1)n1cccn1
InChIInChI=1S/C17H18N4O4/c1-10(21-7-3-6-18-21)15(22)19-11-4-2-5-12(8-11)20-16(23)13-9-14(13)17(24)25/h2-8,10,13-14H,9H2,1H3,(H,19,22)(H,20,23)(H,24,25)
InChIKeyJJVRNKGMLFOLNT-UHFFFAOYSA-N
XLogP1.74
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 43068723
2-[[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180633
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786907
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119180632) is 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CC(C(=O)Nc1cccc(NC(=O)C2CC2C(=O)O)c1)n1cccn1.
What is the InChIKey of 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JJVRNKGMLFOLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10(21-7-3-6-18-21)15(22)19-11-4-2-5-12(8-11)20-16(23)13-9-14(13)17(24)25/h2-8,10,13-14H,9H2,1H3,(H,19,22)(H,20,23)(H,24,25).
What are the key properties of 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119180632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).