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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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).