3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine

C10H7ClF3N3 — CID 115112010

IUPAC3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)c(Cl)c(F)c2F)cc1N
InChIInChI=1S/C10H7ClF3N3/c1-17-7(15)3-6(16-17)4-2-5(12)8(11)10(14)9(4)13/h2-3H,15H2,1H3
InChIKeyOTIFGOOXAWPFQW-UHFFFAOYSA-N
MW261.63 g/mol
LogP2.74
Rot. Bonds1

About 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine

3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 115112010) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
PubChem CID115112010
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)c(Cl)c(F)c2F)cc1N
InChIInChI=1S/C10H7ClF3N3/c1-17-7(15)3-6(16-17)4-2-5(12)8(11)10(14)9(4)13/h2-3H,15H2,1H3
InChIKeyOTIFGOOXAWPFQW-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112019
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine (CID 115112010) is 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc(F)c(Cl)c(F)c2F)cc1N.
What is the InChIKey of 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is OTIFGOOXAWPFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c1-17-7(15)3-6(16-17)4-2-5(12)8(11)10(14)9(4)13/h2-3H,15H2,1H3.
What are the key properties of 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine?
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 261.63 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115112010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).