3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

C12H7BrF3N5O — CID 166349881

IUPAC3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(Nc1cn[nH]c1C(F)(F)F)c1ccc2c(Br)cnn2c1
InChIInChI=1S/C12H7BrF3N5O/c13-7-3-18-21-5-6(1-2-9(7)21)11(22)19-8-4-17-20-10(8)12(14,15)16/h1-5H,(H,17,20)(H,19,22)
InChIKeyLDPITIWMJYLLBL-UHFFFAOYSA-N
MW374.12 g/mol
LogP3.09
Rot. Bonds2

About 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 166349881) has the molecular formula C12H7BrF3N5O and a molecular weight of 374.12 g/mol. Its IUPAC name is 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID166349881
Molecular FormulaC12H7BrF3N5O
Molecular Weight374.12 g/mol
Exact Mass372.98
IUPAC Name3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(Nc1cn[nH]c1C(F)(F)F)c1ccc2c(Br)cnn2c1
InChIInChI=1S/C12H7BrF3N5O/c13-7-3-18-21-5-6(1-2-9(7)21)11(22)19-8-4-17-20-10(8)12(14,15)16/h1-5H,(H,17,20)(H,19,22)
InChIKeyLDPITIWMJYLLBL-UHFFFAOYSA-N
XLogP3.09
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 166349878
methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 166349827
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542279
3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 90193866
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 167761150
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide
CID 91220940
2,2,2-trifluoro-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 11009809
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(2-bromo-4-fluorophenyl)-1H-indazole-6-carboxamide
CID 62919566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 166349881) is 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is O=C(Nc1cn[nH]c1C(F)(F)F)c1ccc2c(Br)cnn2c1.
What is the InChIKey of 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is LDPITIWMJYLLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N5O/c13-7-3-18-21-5-6(1-2-9(7)21)11(22)19-8-4-17-20-10(8)12(14,15)16/h1-5H,(H,17,20)(H,19,22).
What are the key properties of 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 374.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 166349881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).