(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide

C11H9ClF3N3O2 — CID 2059644

IUPAC(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide
SMILESNC(=O)N1NC(c2ccc(Cl)cc2)=C[C@]1(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/h1-5,17,20H,(H2,16,19)/t10-/m0/s1
InChIKeyUQUUWZMBVHRQKB-JTQLQIEISA-N
MW307.66 g/mol
LogP1.83
Rot. Bonds1

About (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide

(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide (PubChem CID 2059644) has the molecular formula C11H9ClF3N3O2 and a molecular weight of 307.66 g/mol. Its IUPAC name is (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide
PubChem CID2059644
Molecular FormulaC11H9ClF3N3O2
Molecular Weight307.66 g/mol
Exact Mass307.03
IUPAC Name(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide
SMILESNC(=O)N1NC(c2ccc(Cl)cc2)=C[C@]1(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/h1-5,17,20H,(H2,16,19)/t10-/m0/s1
InChIKeyUQUUWZMBVHRQKB-JTQLQIEISA-N
XLogP1.83
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate
CID 2265124
tert-butyl (3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate
CID 2265125
[5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-cyclopropylmethanone
CID 4256880
5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide
CID 5012791

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide?
The IUPAC name of (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide (CID 2059644) is (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide.
What is the SMILES notation for (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide?
The canonical SMILES for (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide is NC(=O)N1NC(c2ccc(Cl)cc2)=C[C@]1(O)C(F)(F)F.
What is the InChIKey of (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide?
The InChIKey is UQUUWZMBVHRQKB-JTQLQIEISA-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/h1-5,17,20H,(H2,16,19)/t10-/m0/s1.
What are the key properties of (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide?
(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide has a molecular weight of 307.66 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 2059644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).