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

C18H15ClF3N3O — CID 137183370

IUPAC5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCn1nc(-c2ccc(NCc3ccc(Cl)cc3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C18H15ClF3N3O/c1-25-17(18(20,21)22)9-15(24-25)14-7-6-13(8-16(14)26)23-10-11-2-4-12(19)5-3-11/h2-9,23,26H,10H2,1H3
InChIKeyGURDELGUSQVLKA-UHFFFAOYSA-N
MW381.79 g/mol
LogP5.08
Rot. Bonds4

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

5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (PubChem CID 137183370) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
PubChem CID137183370
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC Name5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCn1nc(-c2ccc(NCc3ccc(Cl)cc3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C18H15ClF3N3O/c1-25-17(18(20,21)22)9-15(24-25)14-7-6-13(8-16(14)26)23-10-11-2-4-12(19)5-3-11/h2-9,23,26H,10H2,1H3
InChIKeyGURDELGUSQVLKA-UHFFFAOYSA-N
XLogP5.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.79
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-Chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol
CID 1256491
2-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172446982
4-[3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-1,2,6-triaza-azulen-1-ylmethyl]-2-fluoro-phenol
CID 11749065
4-[[3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-2-yl]methyl]-2-fluorophenol
CID 24873141
2-[2-(3-Chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol
CID 135427918
4-[2-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 135540475
2-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 136355368
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-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183369
5-Amino-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183371
5-(3,4-Difluoroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183382

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (CID 137183370) is 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is Cn1nc(-c2ccc(NCc3ccc(Cl)cc3)cc2O)cc1C(F)(F)F.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The InChIKey is GURDELGUSQVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O/c1-25-17(18(20,21)22)9-15(24-25)14-7-6-13(8-16(14)26)23-10-11-2-4-12(19)5-3-11/h2-9,23,26H,10H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol has a molecular weight of 381.79 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 137183370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).