7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine

C9H13F3N4 — CID 70830276

IUPAC7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine
SMILESCC1(C)CN(N)Cc2c(C(F)(F)F)n[nH]c21
InChIInChI=1S/C9H13F3N4/c1-8(2)4-16(13)3-5-6(8)14-15-7(5)9(10,11)12/h3-4,13H2,1-2H3,(H,14,15)
InChIKeyFSLFKGCKMBNVDO-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.40
Rot. Bonds

About 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine

7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine (PubChem CID 70830276) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine
PubChem CID70830276
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine
SMILESCC1(C)CN(N)Cc2c(C(F)(F)F)n[nH]c21
InChIInChI=1S/C9H13F3N4/c1-8(2)4-16(13)3-5-6(8)14-15-7(5)9(10,11)12/h3-4,13H2,1-2H3,(H,14,15)
InChIKeyFSLFKGCKMBNVDO-UHFFFAOYSA-N
XLogP1.40
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine?
The IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine (CID 70830276) is 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine.
What is the SMILES notation for 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine?
The canonical SMILES for 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine is CC1(C)CN(N)Cc2c(C(F)(F)F)n[nH]c21.
What is the InChIKey of 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine?
The InChIKey is FSLFKGCKMBNVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-8(2)4-16(13)3-5-6(8)14-15-7(5)9(10,11)12/h3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine?
7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine has a molecular weight of 234.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-amine is sourced from PubChem (CID 70830276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).