3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid

C14H12ClN3O3 — CID 64526668

IUPAC3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)n[nH]1
InChIInChI=1S/C14H12ClN3O3/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)16-11-7-10(12(19)20)17-18-11/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21)
InChIKeyFYHQOKNRVZHSSM-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.43
Rot. Bonds4

About 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526668) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526668
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)n[nH]1
InChIInChI=1S/C14H12ClN3O3/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)16-11-7-10(12(19)20)17-18-11/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21)
InChIKeyFYHQOKNRVZHSSM-UHFFFAOYSA-N
XLogP2.43
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527087
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 22176751
1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
CID 110464732
1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 43546753
1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115609339
3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529049
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 104818238
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526265

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64526668) is 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)n[nH]1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FYHQOKNRVZHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)16-11-7-10(12(19)20)17-18-11/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21).
What are the key properties of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).