1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone

C16H16F3N7O — CID 133423246

IUPAC1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone
SMILESCn1cc(C(=O)CC2CCCN2c2ccc3nnc(C(F)(F)F)n3n2)cn1
InChIInChI=1S/C16H16F3N7O/c1-24-9-10(8-20-24)12(27)7-11-3-2-6-25(11)14-5-4-13-21-22-15(16(17,18)19)26(13)23-14/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyLTGYTONHFDSJPR-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.12
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone

1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone (PubChem CID 133423246) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone
PubChem CID133423246
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone
SMILESCn1cc(C(=O)CC2CCCN2c2ccc3nnc(C(F)(F)F)n3n2)cn1
InChIInChI=1S/C16H16F3N7O/c1-24-9-10(8-20-24)12(27)7-11-3-2-6-25(11)14-5-4-13-21-22-15(16(17,18)19)26(13)23-14/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyLTGYTONHFDSJPR-UHFFFAOYSA-N
XLogP2.12
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123611429
2-Cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
CID 123616591
3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
2-Cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
CID 123973608
1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 134386416
1-[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 146660829
1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 148184673
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 161982532
1-[5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 163924797
2-[3-(Difluoromethyl)-1-(4-pentan-2-ylcyclohexyl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 166800833
1-(1-Methylpyrazol-4-yl)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 75499083
1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 97803016

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone (CID 133423246) is 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone is Cn1cc(C(=O)CC2CCCN2c2ccc3nnc(C(F)(F)F)n3n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone?
The InChIKey is LTGYTONHFDSJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c1-24-9-10(8-20-24)12(27)7-11-3-2-6-25(11)14-5-4-13-21-22-15(16(17,18)19)26(13)23-14/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone?
1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone has a molecular weight of 379.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 133423246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).