5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C16H10Cl2F3N3O — CID 137183409

IUPAC5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H10Cl2F3N3O/c17-11-4-2-8(5-12(11)18)22-9-1-3-10(14(25)6-9)13-7-15(24-23-13)16(19,20)21/h1-7,22,25H,(H,23,24)
InChIKeyCBCCGDUPCCGMRM-UHFFFAOYSA-N
MW388.18 g/mol
LogP5.85
Rot. Bonds3

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

5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183409) has the molecular formula C16H10Cl2F3N3O and a molecular weight of 388.18 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183409
Molecular FormulaC16H10Cl2F3N3O
Molecular Weight388.18 g/mol
Exact Mass387.02
IUPAC Name5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H10Cl2F3N3O/c17-11-4-2-8(5-12(11)18)22-9-1-3-10(14(25)6-9)13-7-15(24-23-13)16(19,20)21/h1-7,22,25H,(H,23,24)
InChIKeyCBCCGDUPCCGMRM-UHFFFAOYSA-N
XLogP5.85
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.18
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183369
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
3-[(4-chlorophenyl)methylamino]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 155402273
5-(4-isocyanatoanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 162500917
5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 166901199
5-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-3-carbonitrile
CID 137183401

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183409) is 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is CBCCGDUPCCGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O/c17-11-4-2-8(5-12(11)18)22-9-1-3-10(14(25)6-9)13-7-15(24-23-13)16(19,20)21/h1-7,22,25H,(H,23,24).
What are the key properties of 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 388.18 g/mol, XLogP of 5.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).