3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C12H10F3N3 — CID 82588751

IUPAC3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CNCC3)c(F)c1F
InChIInChI=1S/C12H10F3N3/c13-8-2-1-6(10(14)11(8)15)12-7-5-16-4-3-9(7)17-18-12/h1-2,16H,3-5H2,(H,17,18)
InChIKeyCGQSJTMKCLUHAI-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.14
Rot. Bonds1

About 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 82588751) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID82588751
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CNCC3)c(F)c1F
InChIInChI=1S/C12H10F3N3/c13-8-2-1-6(10(14)11(8)15)12-7-5-16-4-3-9(7)17-18-12/h1-2,16H,3-5H2,(H,17,18)
InChIKeyCGQSJTMKCLUHAI-UHFFFAOYSA-N
XLogP2.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223655
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57140925
4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540362
5-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-oxazole
CID 130950606
3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82301056
3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537634
3-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 130431117
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136822369
N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585352
3-(2,4-diethoxy-5-nitrophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110536982

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 82588751) is 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is Fc1ccc(-c2n[nH]c3c2CNCC3)c(F)c1F.
What is the InChIKey of 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is CGQSJTMKCLUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-8-2-1-6(10(14)11(8)15)12-7-5-16-4-3-9(7)17-18-12/h1-2,16H,3-5H2,(H,17,18).
What are the key properties of 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 253.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82588751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).