2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

C16H13N5O — CID 168523396

IUPAC2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
SMILESCc1cc2nccc(-c3cccc(NC(=O)CC#N)c3)n2n1
InChIInChI=1S/C16H13N5O/c1-11-9-15-18-8-6-14(21(15)20-11)12-3-2-4-13(10-12)19-16(22)5-7-17/h2-4,6,8-10H,5H2,1H3,(H,19,22)
InChIKeyYKNWEPLSUYTBGE-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.56
Rot. Bonds3

About 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide (PubChem CID 168523396) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
PubChem CID168523396
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
SMILESCc1cc2nccc(-c3cccc(NC(=O)CC#N)c3)n2n1
InChIInChI=1S/C16H13N5O/c1-11-9-15-18-8-6-14(21(15)20-11)12-3-2-4-13(10-12)19-16(22)5-7-17/h2-4,6,8-10H,5H2,1H3,(H,19,22)
InChIKeyYKNWEPLSUYTBGE-UHFFFAOYSA-N
XLogP2.56
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
7-[3-(1,2,2-tricyanoethenylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168609279
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
CID 58970133
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2-[5-[3-[(2-cyanoacetyl)amino]phenyl]tetrazol-2-yl]acetic acid
CID 168524333
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108759716
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-[3-[(2-cyanoacetyl)amino]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168522691
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide (CID 168523396) is 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide is Cc1cc2nccc(-c3cccc(NC(=O)CC#N)c3)n2n1.
What is the InChIKey of 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The InChIKey is YKNWEPLSUYTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11-9-15-18-8-6-14(21(15)20-11)12-3-2-4-13(10-12)19-16(22)5-7-17/h2-4,6,8-10H,5H2,1H3,(H,19,22).
What are the key properties of 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide is sourced from PubChem (CID 168523396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).