N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

C7H8F3N3O — CID 63227651

IUPACN-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)1-2-11-6(14)5-3-12-13-4-5/h3-4H,1-2H2,(H,11,14)(H,12,13)
InChIKeySMWPJWQGZMULKA-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.09
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (PubChem CID 63227651) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
PubChem CID63227651
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC NameN-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)1-2-11-6(14)5-3-12-13-4-5/h3-4H,1-2H2,(H,11,14)(H,12,13)
InChIKeySMWPJWQGZMULKA-UHFFFAOYSA-N
XLogP1.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
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CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
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

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (CID 63227651) is N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is O=C(NCCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SMWPJWQGZMULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)1-2-11-6(14)5-3-12-13-4-5/h3-4H,1-2H2,(H,11,14)(H,12,13).
What are the key properties of N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.15 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63227651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).