2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C10H10F3N5O — CID 4773800

IUPAC2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H10F3N5O/c1-17-8(2-3-14-17)9(19)16-7-4-15-18(5-7)6-10(11,12)13/h2-5H,6H2,1H3,(H,16,19)
InChIKeyHFZAGRMSLYVDDZ-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide

2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 4773800) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID4773800
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H10F3N5O/c1-17-8(2-3-14-17)9(19)16-7-4-15-18(5-7)6-10(11,12)13/h2-5H,6H2,1H3,(H,16,19)
InChIKeyHFZAGRMSLYVDDZ-UHFFFAOYSA-N
XLogP1.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 4773800) is 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is HFZAGRMSLYVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-17-8(2-3-14-17)9(19)16-7-4-15-18(5-7)6-10(11,12)13/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 273.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 4773800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).