1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C11H11F3N4O — CID 47150749

IUPAC1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(F)(F)F)c1-n1cccc1
InChIInChI=1S/C11H11F3N4O/c1-17-10(18-4-2-3-5-18)8(6-16-17)9(19)15-7-11(12,13)14/h2-6H,7H2,1H3,(H,15,19)
InChIKeySFEHVDAEAXUVPB-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.50
Rot. Bonds3

About 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 47150749) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID47150749
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(F)(F)F)c1-n1cccc1
InChIInChI=1S/C11H11F3N4O/c1-17-10(18-4-2-3-5-18)8(6-16-17)9(19)15-7-11(12,13)14/h2-6H,7H2,1H3,(H,15,19)
InChIKeySFEHVDAEAXUVPB-UHFFFAOYSA-N
XLogP1.50
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809080
1-Methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
CID 2809082
N,1-dimethyl-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 177680101
1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38026625
N,N-diethyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53581339
1-Methyl-5-pyrrol-1-yl-1h-pyrazole-4-carbonyl fluoride
CID 58724547
7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137253144
6-fluoro-2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 137310616
2-[4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 137310619
7-fluoro-2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 137310620
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 36367561
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 47150749) is 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NCC(F)(F)F)c1-n1cccc1.
What is the InChIKey of 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is SFEHVDAEAXUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-17-10(18-4-2-3-5-18)8(6-16-17)9(19)15-7-11(12,13)14/h2-6H,7H2,1H3,(H,15,19).
What are the key properties of 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47150749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).