N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C11H14F3N3O — CID 55009428

IUPACN-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H14F3N3O/c1-6-9(7(2)16-15-6)10(18)17(8-3-4-8)5-11(12,13)14/h8H,3-5H2,1-2H3,(H,15,16)
InChIKeyKHWDBIMSAHFQDF-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.19
Rot. Bonds3

About N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 55009428) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID55009428
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H14F3N3O/c1-6-9(7(2)16-15-6)10(18)17(8-3-4-8)5-11(12,13)14/h8H,3-5H2,1-2H3,(H,15,16)
InChIKeyKHWDBIMSAHFQDF-UHFFFAOYSA-N
XLogP2.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 55009428) is N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KHWDBIMSAHFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6-9(7(2)16-15-6)10(18)17(8-3-4-8)5-11(12,13)14/h8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55009428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).