(4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

C16H11ClF3N3O2 — CID 5017218

IUPAC(4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=CC1(O)c1cccnc1
InChIInChI=1S/C16H11ClF3N3O2/c17-12-5-3-10(4-6-12)14(24)23-15(25,11-2-1-7-21-9-11)8-13(22-23)16(18,19)20/h1-9,22,25H
InChIKeyPTMRHRRXWWJYEV-UHFFFAOYSA-N
MW369.73 g/mol
LogP2.99
Rot. Bonds2

About (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

(4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone (PubChem CID 5017218) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
PubChem CID5017218
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC Name(4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=CC1(O)c1cccnc1
InChIInChI=1S/C16H11ClF3N3O2/c17-12-5-3-10(4-6-12)14(24)23-15(25,11-2-1-7-21-9-11)8-13(22-23)16(18,19)20/h1-9,22,25H
InChIKeyPTMRHRRXWWJYEV-UHFFFAOYSA-N
XLogP2.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone (CID 5017218) is (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone is O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=CC1(O)c1cccnc1.
What is the InChIKey of (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The InChIKey is PTMRHRRXWWJYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c17-12-5-3-10(4-6-12)14(24)23-15(25,11-2-1-7-21-9-11)8-13(22-23)16(18,19)20/h1-9,22,25H.
What are the key properties of (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
(4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone has a molecular weight of 369.73 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone is sourced from PubChem (CID 5017218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).