1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

C14H14F3N3 — CID 118561357

IUPAC1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESFC(F)(F)c1nn(Cc2ccccc2)c2c1CCNC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-11-6-7-18-8-12(11)20(19-13)9-10-4-2-1-3-5-10/h1-5,18H,6-9H2
InChIKeyPMYLHZRPJWGWCX-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.60
Rot. Bonds2

About 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 118561357) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID118561357
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESFC(F)(F)c1nn(Cc2ccccc2)c2c1CCNC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-11-6-7-18-8-12(11)20(19-13)9-10-4-2-1-3-5-10/h1-5,18H,6-9H2
InChIKeyPMYLHZRPJWGWCX-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 130203009
1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587041
methyl 4-[[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]benzoate
CID 110458966
3-tert-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458959
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130214355
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561268
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide
CID 66874721
2-chloro-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 118561573
1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one
CID 144973664
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (CID 118561357) is 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is FC(F)(F)c1nn(Cc2ccccc2)c2c1CCNC2.
What is the InChIKey of 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is PMYLHZRPJWGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)13-11-6-7-18-8-12(11)20(19-13)9-10-4-2-1-3-5-10/h1-5,18H,6-9H2.
What are the key properties of 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 281.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118561357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).