N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C8H10F3N3O — CID 47801873

IUPACN-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCCCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-3-12-7(15)5-4-13-14-6(5)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyAEQYDADGUNBGFO-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.57
Rot. Bonds3

About N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 47801873) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID47801873
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCCCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-3-12-7(15)5-4-13-14-6(5)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyAEQYDADGUNBGFO-UHFFFAOYSA-N
XLogP1.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
1-ethyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 177680431
5-(Trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66781137
5-methyl-N-(2-sulfanylethyl)-1H-pyrazole-4-carboxamide
CID 177680541
3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 72843899
5-methyl-N-[3-(2-methylpropylsulfanyl)propyl]-1H-pyrazole-4-carboxamide
CID 75433102
N-[(2S)-3,3-dimethylbutan-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 97329619
N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide
CID 126772516
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 126794183

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 47801873) is N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CCCNC(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AEQYDADGUNBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-3-12-7(15)5-4-13-14-6(5)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 47801873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).