1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide

C13H13F3N4O2 — CID 127267523

IUPAC1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C13H13F3N4O2/c1-20-6-2-3-10(20)12(21)17-7-9-4-5-11(19-18-9)22-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,21)
InChIKeyIRFSUUOIRVVKAK-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.69
Rot. Bonds5

About 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide

1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide (PubChem CID 127267523) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide
PubChem CID127267523
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C13H13F3N4O2/c1-20-6-2-3-10(20)12(21)17-7-9-4-5-11(19-18-9)22-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,21)
InChIKeyIRFSUUOIRVVKAK-UHFFFAOYSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide 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

1-pyrimidin-2-ylethyl N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]carbamate
CID 166709951
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 75375278
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 90653495
N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
CID 112550883
2-[4-[[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698922
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
CID 91774793
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide
CID 55911461

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide (CID 127267523) is 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is IRFSUUOIRVVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-20-6-2-3-10(20)12(21)17-7-9-4-5-11(19-18-9)22-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,21).
What are the key properties of 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide?
1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 127267523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).