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

C11H14F3N3O — CID 54877025

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c1-7(8-2-3-8)17(6-11(12,13)14)10(18)9-4-15-16-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
InChIKeyUIOMXKCIKMTQMO-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds4

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

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54877025) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54877025
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c1-7(8-2-3-8)17(6-11(12,13)14)10(18)9-4-15-16-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
InChIKeyUIOMXKCIKMTQMO-UHFFFAOYSA-N
XLogP2.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54877025) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UIOMXKCIKMTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(8-2-3-8)17(6-11(12,13)14)10(18)9-4-15-16-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54877025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).