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

C16H11ClF6N4 — CID 144685154

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESCNc1c2c(C(F)(F)F)nc(C)cc2nn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H11ClF6N4/c1-7-5-10-12(13(25-7)16(21,22)23)14(24-2)27(26-10)11-4-3-8(6-9(11)17)15(18,19)20/h3-6,24H,1-2H3
InChIKeyUOWHACQCJZUHMP-UHFFFAOYSA-N
MW408.73 g/mol
LogP5.46
Rot. Bonds2

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

2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 144685154) has the molecular formula C16H11ClF6N4 and a molecular weight of 408.73 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
PubChem CID144685154
Molecular FormulaC16H11ClF6N4
Molecular Weight408.73 g/mol
Exact Mass408.06
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESCNc1c2c(C(F)(F)F)nc(C)cc2nn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H11ClF6N4/c1-7-5-10-12(13(25-7)16(21,22)23)14(24-2)27(26-10)11-4-3-8(6-9(11)17)15(18,19)20/h3-6,24H,1-2H3
InChIKeyUOWHACQCJZUHMP-UHFFFAOYSA-N
XLogP5.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.73
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123368703
1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
CID 13281506
2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine
CID 21293131
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-isocyano-5-methylpyrazole
CID 59712253
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-methyl-6-pentan-3-ylsulfanyl-4-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 123454424
5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile
CID 18005349
4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]phenol
CID 44816585
2-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]pyrazolo[3,4-b]pyridin-3-amine
CID 90344275
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxylic acid
CID 82362513
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)triazol-4-amine
CID 25154238

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (CID 144685154) is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is CNc1c2c(C(F)(F)F)nc(C)cc2nn1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is UOWHACQCJZUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N4/c1-7-5-10-12(13(25-7)16(21,22)23)14(24-2)27(26-10)11-4-3-8(6-9(11)17)15(18,19)20/h3-6,24H,1-2H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 408.73 g/mol, XLogP of 5.46, 2 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]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 144685154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).