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

C13H18F3N3O — CID 60958551

IUPACN-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H18F3N3O/c1-7-11(8(2)18-17-7)12(20)19(6-13(14,15)16)9(3)10-4-5-10/h9-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyCNTKHAURCCGPPK-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.83
Rot. Bonds4

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

N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60958551) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60958551
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H18F3N3O/c1-7-11(8(2)18-17-7)12(20)19(6-13(14,15)16)9(3)10-4-5-10/h9-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyCNTKHAURCCGPPK-UHFFFAOYSA-N
XLogP2.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60958551) is N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CNTKHAURCCGPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-7-11(8(2)18-17-7)12(20)19(6-13(14,15)16)9(3)10-4-5-10/h9-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60958551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).