2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C7H8F3N3O — CID 62901624

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(N)=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-4(6(11)14)13-3-2-5(12-13)7(8,9)10/h2-4H,1H3,(H2,11,14)
InChIKeyWHUJJUAKPXMTCW-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.95
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 62901624) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID62901624
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(N)=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-4(6(11)14)13-3-2-5(12-13)7(8,9)10/h2-4H,1H3,(H2,11,14)
InChIKeyWHUJJUAKPXMTCW-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethanamine
CID 19620741
(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid hydrazide
CID 2064142
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 3659554
N-[(Z)-(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6219663
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
N-(2-sulfanylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 177679812
3-sulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 177680730
3-sulfanyl-N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]propanamide
CID 177680795

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 62901624) is 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(N)=O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is WHUJJUAKPXMTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(6(11)14)13-3-2-5(12-13)7(8,9)10/h2-4H,1H3,(H2,11,14).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 207.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 62901624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).