2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine

C15H9ClF6N4 — CID 123368703

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESCc1cc2nn(-c3ccc(C(F)(F)F)cc3Cl)c(N)c2c(C(F)(F)F)n1
InChIInChI=1S/C15H9ClF6N4/c1-6-4-9-11(12(24-6)15(20,21)22)13(23)26(25-9)10-3-2-7(5-8(10)16)14(17,18)19/h2-5H,23H2,1H3
InChIKeyDWNXBEUSKCZAME-UHFFFAOYSA-N
MW394.71 g/mol
LogP5.00
Rot. Bonds1

About 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine

2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 123368703) has the molecular formula C15H9ClF6N4 and a molecular weight of 394.71 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
PubChem CID123368703
Molecular FormulaC15H9ClF6N4
Molecular Weight394.71 g/mol
Exact Mass394.04
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESCc1cc2nn(-c3ccc(C(F)(F)F)cc3Cl)c(N)c2c(C(F)(F)F)n1
InChIInChI=1S/C15H9ClF6N4/c1-6-4-9-11(12(24-6)15(20,21)22)13(23)26(25-9)10-3-2-7(5-8(10)16)14(17,18)19/h2-5H,23H2,1H3
InChIKeyDWNXBEUSKCZAME-UHFFFAOYSA-N
XLogP5.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.71
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 144685154
2-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]pyrazolo[3,4-b]pyridin-3-amine
CID 90344275
2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine
CID 21293131
5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile
CID 18005349
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)triazol-4-amine
CID 25154238
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-isocyano-5-methylpyrazole
CID 59712253
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]phenol
CID 44816585
6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123683083
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxylic acid
CID 82362513
6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine
CID 123998199

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (CID 123368703) is 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is Cc1cc2nn(-c3ccc(C(F)(F)F)cc3Cl)c(N)c2c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is DWNXBEUSKCZAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF6N4/c1-6-4-9-11(12(24-6)15(20,21)22)13(23)26(25-9)10-3-2-7(5-8(10)16)14(17,18)19/h2-5H,23H2,1H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 394.71 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 123368703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).