1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine

C10H7ClF3N3 — CID 102942871

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C10H7ClF3N3/c11-7-5-6(10(12,13)14)1-2-8(7)17-4-3-9(15)16-17/h1-5H,(H2,15,16)
InChIKeyGKYOLYFNOHQPFC-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.13
Rot. Bonds1

About 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine

1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 102942871) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID102942871
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C10H7ClF3N3/c11-7-5-6(10(12,13)14)1-2-8(7)17-4-3-9(15)16-17/h1-5H,(H2,15,16)
InChIKeyGKYOLYFNOHQPFC-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-iodophenyl)pyrazol-3-amine
CID 107608588
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
CID 101073728
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
CID 90484283
2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123368703
1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
CID 102942859
1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
CID 102942946
1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine
CID 176884698
1-(2,3-dichlorophenyl)pyrazol-3-amine
CID 70210404
2-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]pyrazolo[3,4-b]pyridin-3-amine
CID 90344275
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile
CID 18005349
3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 102942871) is 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine is Nc1ccn(-c2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is GKYOLYFNOHQPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c11-7-5-6(10(12,13)14)1-2-8(7)17-4-3-9(15)16-17/h1-5H,(H2,15,16).
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 261.63 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 102942871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).