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

C9H12F3N3O — CID 60958787

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H12F3N3O/c1-2-3-15(6-9(10,11)12)8(16)7-4-13-14-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyGLIMAFBQPCPZRI-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.82
Rot. Bonds4

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

N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60958787) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60958787
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H12F3N3O/c1-2-3-15(6-9(10,11)12)8(16)7-4-13-14-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyGLIMAFBQPCPZRI-UHFFFAOYSA-N
XLogP1.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.82
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-(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
5-fluoro-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 67120909

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60958787) is N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GLIMAFBQPCPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-3-15(6-9(10,11)12)8(16)7-4-13-14-5-7/h4-5H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60958787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).