5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C11H16F3N3O — CID 63997221

IUPAC5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-7(2)5-17(6-11(12,13)14)10(18)9-4-15-16-8(9)3/h4,7H,5-6H2,1-3H3,(H,15,16)
InChIKeyZAHKMWBRNGYWAI-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.38
Rot. Bonds4

About 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 63997221) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID63997221
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-7(2)5-17(6-11(12,13)14)10(18)9-4-15-16-8(9)3/h4,7H,5-6H2,1-3H3,(H,15,16)
InChIKeyZAHKMWBRNGYWAI-UHFFFAOYSA-N
XLogP2.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 63997221) is 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZAHKMWBRNGYWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)5-17(6-11(12,13)14)10(18)9-4-15-16-8(9)3/h4,7H,5-6H2,1-3H3,(H,15,16).
What are the key properties of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63997221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).