3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

C11H9ClF3N3O2 — CID 2921719

IUPAC3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C11H9ClF3N3O2/c12-7-3-1-6(2-4-7)8-5-10(20,11(13,14)15)18(17-8)9(16)19/h1-4,20H,5H2,(H2,16,19)
InChIKeyQMSWVOZJIRJFDR-UHFFFAOYSA-N
MW307.66 g/mol
LogP2.08
Rot. Bonds1

About 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (PubChem CID 2921719) has the molecular formula C11H9ClF3N3O2 and a molecular weight of 307.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
PubChem CID2921719
Molecular FormulaC11H9ClF3N3O2
Molecular Weight307.66 g/mol
Exact Mass307.03
IUPAC Name3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C11H9ClF3N3O2/c12-7-3-1-6(2-4-7)8-5-10(20,11(13,14)15)18(17-8)9(16)19/h1-4,20H,5H2,(H2,16,19)
InChIKeyQMSWVOZJIRJFDR-UHFFFAOYSA-N
XLogP2.08
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(cyclopropylcarbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4577003
5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carbohydrazide
CID 21627591
5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
CID 24888095
3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbaldehyde
CID 2858517
(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide
CID 51403469
tert-butyl 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 2881851
ethyl 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 3152311
methyl 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 46198282
(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
CID 802574
(5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbaldehyde
CID 873094
(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbaldehyde
CID 873095
ethyl (5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 1079982

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (CID 2921719) is 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is NC(=O)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The InChIKey is QMSWVOZJIRJFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2/c12-7-3-1-6(2-4-7)8-5-10(20,11(13,14)15)18(17-8)9(16)19/h1-4,20H,5H2,(H2,16,19).
What are the key properties of 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide has a molecular weight of 307.66 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 2921719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).