2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C13H13F3N4O — CID 62879757

IUPAC2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESNc1cnn(CC(=O)NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11-4-2-1-3-9(11)5-18-12(21)8-20-7-10(17)6-19-20/h1-4,6-7H,5,8,17H2,(H,18,21)
InChIKeyDNXSCZFUACDSIK-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 62879757) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID62879757
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESNc1cnn(CC(=O)NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11-4-2-1-3-9(11)5-18-12(21)8-20-7-10(17)6-19-20/h1-4,6-7H,5,8,17H2,(H,18,21)
InChIKeyDNXSCZFUACDSIK-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 43445345
2-(4-aminopyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43445218
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
3-amino-1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 169110325
2-(4-aminopyrazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 43445291
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 62879757) is 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is Nc1cnn(CC(=O)NCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is DNXSCZFUACDSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)11-4-2-1-3-9(11)5-18-12(21)8-20-7-10(17)6-19-20/h1-4,6-7H,5,8,17H2,(H,18,21).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 298.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 62879757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).