1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C16H17N3O3 — CID 120550077

IUPAC1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H17N3O3/c1-11(18-14(20)16(7-8-16)15(21)22)12-5-2-3-6-13(12)19-10-4-9-17-19/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyDVQKNTSCKOFBCG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.91
Rot. Bonds5

About 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120550077) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120550077
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H17N3O3/c1-11(18-14(20)16(7-8-16)15(21)22)12-5-2-3-6-13(12)19-10-4-9-17-19/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyDVQKNTSCKOFBCG-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322482
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide
CID 136521990
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
cis-(1S,3R)-2,2-dimethyl-3-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065752
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 120550077) is 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CC1)c1ccccc1-n1cccn1.
What is the InChIKey of 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DVQKNTSCKOFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(18-14(20)16(7-8-16)15(21)22)12-5-2-3-6-13(12)19-10-4-9-17-19/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120550077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).