2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide

C16H13N5O — CID 108768765

IUPAC2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC#N)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H13N5O/c1-11-10-15(19-16(22)8-9-17)21(20-11)14-7-6-12-4-2-3-5-13(12)18-14/h2-7,10H,8H2,1H3,(H,19,22)
InChIKeyRMBSSZWJCDAZDW-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.58
Rot. Bonds3

About 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide

2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide (PubChem CID 108768765) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
PubChem CID108768765
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC#N)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H13N5O/c1-11-10-15(19-16(22)8-9-17)21(20-11)14-7-6-12-4-2-3-5-13(12)18-14/h2-7,10H,8H2,1H3,(H,19,22)
InChIKeyRMBSSZWJCDAZDW-UHFFFAOYSA-N
XLogP2.58
TPSA83.60 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797812
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768806
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 108778727
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide
CID 108803165
[2-methoxy-4-[(E)-3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]phenyl] acetate
CID 108768795
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide (CID 108768765) is 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CC#N)n(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide?
The InChIKey is RMBSSZWJCDAZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11-10-15(19-16(22)8-9-17)21(20-11)14-7-6-12-4-2-3-5-13(12)18-14/h2-7,10H,8H2,1H3,(H,19,22).
What are the key properties of 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide?
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 108768765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).