N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H13F4N5O — CID 19530901

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C16H13F4N5O/c17-12-3-1-2-11(6-12)8-25-9-13(7-21-25)22-15(26)10-24-5-4-14(23-24)16(18,19)20/h1-7,9H,8,10H2,(H,22,26)
InChIKeyGXAJAGZBIYNLPW-UHFFFAOYSA-N
MW367.31 g/mol
LogP2.92
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530901) has the molecular formula C16H13F4N5O and a molecular weight of 367.31 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530901
Molecular FormulaC16H13F4N5O
Molecular Weight367.31 g/mol
Exact Mass367.11
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C16H13F4N5O/c17-12-3-1-2-11(6-12)8-25-9-13(7-21-25)22-15(26)10-24-5-4-14(23-24)16(18,19)20/h1-7,9H,8,10H2,(H,22,26)
InChIKeyGXAJAGZBIYNLPW-UHFFFAOYSA-N
XLogP2.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519217
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531003
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530899
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530901) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GXAJAGZBIYNLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N5O/c17-12-3-1-2-11(6-12)8-25-9-13(7-21-25)22-15(26)10-24-5-4-14(23-24)16(18,19)20/h1-7,9H,8,10H2,(H,22,26).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 367.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).