2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol

C11H9ClF3N3O — CID 117471111

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol
SMILESCn1ncc(-c2c(O)cc(C(F)(F)F)cc2Cl)c1N
InChIInChI=1S/C11H9ClF3N3O/c1-18-10(16)6(4-17-18)9-7(12)2-5(3-8(9)19)11(13,14)15/h2-4,19H,16H2,1H3
InChIKeyPZHOIPPYHNLKSA-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.05
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol

2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol (PubChem CID 117471111) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol
PubChem CID117471111
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol
SMILESCn1ncc(-c2c(O)cc(C(F)(F)F)cc2Cl)c1N
InChIInChI=1S/C11H9ClF3N3O/c1-18-10(16)6(4-17-18)9-7(12)2-5(3-8(9)19)11(13,14)15/h2-4,19H,16H2,1H3
InChIKeyPZHOIPPYHNLKSA-UHFFFAOYSA-N
XLogP3.05
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117441268
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348200
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
CID 18929405
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
3-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348192
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117450727
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol (CID 117471111) is 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol is Cn1ncc(-c2c(O)cc(C(F)(F)F)cc2Cl)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol?
The InChIKey is PZHOIPPYHNLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c1-18-10(16)6(4-17-18)9-7(12)2-5(3-8(9)19)11(13,14)15/h2-4,19H,16H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol?
2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol has a molecular weight of 291.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117471111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).