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

C10H14F3N3O — CID 54876873

IUPACN-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O/c1-2-3-4-16(7-10(11,12)13)9(17)8-5-14-15-6-8/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyQOVRJGRLXLWJOQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.21
Rot. Bonds5

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

N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54876873) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54876873
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O/c1-2-3-4-16(7-10(11,12)13)9(17)8-5-14-15-6-8/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyQOVRJGRLXLWJOQ-UHFFFAOYSA-N
XLogP2.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66901756

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54876873) is N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is QOVRJGRLXLWJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-3-4-16(7-10(11,12)13)9(17)8-5-14-15-6-8/h5-6H,2-4,7H2,1H3,(H,14,15).
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).