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

C10H14F3N3O — CID 54876945

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-16(6-10(11,12)13)9(17)8-3-14-15-4-8/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyICPVRXSWZAKZPW-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.07
Rot. Bonds4

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

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54876945) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54876945
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-16(6-10(11,12)13)9(17)8-3-14-15-4-8/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyICPVRXSWZAKZPW-UHFFFAOYSA-N
XLogP2.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54876945) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ICPVRXSWZAKZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)5-16(6-10(11,12)13)9(17)8-3-14-15-4-8/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).