2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C17H12F3N5 — CID 71905420

IUPAC2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1c2cnccc2nn1Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)16-14-10-21-8-6-15(14)23-25(16)11-12-7-9-24(22-12)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyNZQSGYGMAQNFES-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.68
Rot. Bonds3

About 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 71905420) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID71905420
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1c2cnccc2nn1Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)16-14-10-21-8-6-15(14)23-25(16)11-12-7-9-24(22-12)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyNZQSGYGMAQNFES-UHFFFAOYSA-N
XLogP3.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60691
Nerispirdine
CID 3081185
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2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
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2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
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6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
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CID 10490725
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
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CID 10801657

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 71905420) is 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is FC(F)(F)c1c2cnccc2nn1Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is NZQSGYGMAQNFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-17(19,20)16-14-10-21-8-6-15(14)23-25(16)11-12-7-9-24(22-12)13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 343.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71905420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).