5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C17H13ClF3N3O — CID 137183369

IUPAC5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(NCc2ccc(Cl)cc2)ccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H13ClF3N3O/c18-11-3-1-10(2-4-11)9-22-12-5-6-13(15(25)7-12)14-8-16(24-23-14)17(19,20)21/h1-8,22,25H,9H2,(H,23,24)
InChIKeyQUWOKRPCZKKPFR-UHFFFAOYSA-N
MW367.76 g/mol
LogP5.07
Rot. Bonds4

About 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183369) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183369
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(NCc2ccc(Cl)cc2)ccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H13ClF3N3O/c18-11-3-1-10(2-4-11)9-22-12-5-6-13(15(25)7-12)14-8-16(24-23-14)17(19,20)21/h1-8,22,25H,9H2,(H,23,24)
InChIKeyQUWOKRPCZKKPFR-UHFFFAOYSA-N
XLogP5.07
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol
CID 139187835
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol
CID 135926264
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol
CID 67560741
5-(4-chloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183361
5-(4-Chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183368
5-[(4-Chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183370
5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183378
5-(3,4-Difluoroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183382
5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183389
5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183409
3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol
CID 141222706

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183369) is 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1cc(NCc2ccc(Cl)cc2)ccc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is QUWOKRPCZKKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c18-11-3-1-10(2-4-11)9-22-12-5-6-13(15(25)7-12)14-8-16(24-23-14)17(19,20)21/h1-8,22,25H,9H2,(H,23,24).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 367.76 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).