2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide

C15H15FN4O — CID 175670183

IUPAC2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(CC#N)c(F)c2)cn1
InChIInChI=1S/C15H15FN4O/c1-19(2)15(21)10-20-9-13(8-18-20)12-4-3-11(5-6-17)14(16)7-12/h3-4,7-9H,5,10H2,1-2H3
InChIKeyBGFYTAXBANYAKH-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 175670183) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID175670183
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(CC#N)c(F)c2)cn1
InChIInChI=1S/C15H15FN4O/c1-19(2)15(21)10-20-9-13(8-18-20)12-4-3-11(5-6-17)14(16)7-12/h3-4,7-9H,5,10H2,1-2H3
InChIKeyBGFYTAXBANYAKH-UHFFFAOYSA-N
XLogP1.84
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670326
2-[4-[5-(cyanomethyl)-2-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670115
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670012
2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171921652
2-[4-(4-amino-2-cyanophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171663223
2-[4-[2-cyano-5-(trifluoromethyl)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 172915492
2-(difluoromethoxy)-4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzoic acid
CID 171382939
4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-2-fluoro-5-methylbenzoic acid
CID 171906135
2-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-4-fluoro-5-methylbenzoic acid
CID 172914566
2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835887
2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile
CID 175670145

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 175670183) is 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2ccc(CC#N)c(F)c2)cn1.
What is the InChIKey of 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is BGFYTAXBANYAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-19(2)15(21)10-20-9-13(8-18-20)12-4-3-11(5-6-17)14(16)7-12/h3-4,7-9H,5,10H2,1-2H3.
What are the key properties of 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 286.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 175670183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).