7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine

C11H9F3N6 — CID 176665051

IUPAC7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2c(-c3ccn(CC(F)(F)F)n3)cncc12
InChIInChI=1S/C11H9F3N6/c12-11(13,14)5-20-2-1-8(19-20)6-3-16-4-7-9(6)17-18-10(7)15/h1-4H,5H2,(H3,15,17,18)
InChIKeySIDNXJFLJUEPHV-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.97
Rot. Bonds2

About 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine

7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 176665051) has the molecular formula C11H9F3N6 and a molecular weight of 282.23 g/mol. Its IUPAC name is 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID176665051
Molecular FormulaC11H9F3N6
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC Name7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2c(-c3ccn(CC(F)(F)F)n3)cncc12
InChIInChI=1S/C11H9F3N6/c12-11(13,14)5-20-2-1-8(19-20)6-3-16-4-7-9(6)17-18-10(7)15/h1-4H,5H2,(H3,15,17,18)
InChIKeySIDNXJFLJUEPHV-UHFFFAOYSA-N
XLogP1.97
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

FR-180204
CID 11493598
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine
CID 53338808
5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
CID 139030489
5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
CID 139030490
5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
CID 145997883
5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 6539529
Tyrphostin AG 1112
CID 135402851
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11625750
3-Amino-5-(4-fluorophenyl)-4-(4-pyridyl)pyrazole
CID 15513101
N-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913411
3-methyl-N-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618867

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 176665051) is 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine is Nc1n[nH]c2c(-c3ccn(CC(F)(F)F)n3)cncc12.
What is the InChIKey of 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is SIDNXJFLJUEPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6/c12-11(13,14)5-20-2-1-8(19-20)6-3-16-4-7-9(6)17-18-10(7)15/h1-4H,5H2,(H3,15,17,18).
What are the key properties of 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine?
7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 282.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 176665051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).