N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide

C17H13N5O — CID 108738088

IUPACN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C17H13N5O/c1-12-6-2-3-7-14(12)17(23)21-16-13(10-18)11-20-22(16)15-8-4-5-9-19-15/h2-9,11H,1H3,(H,21,23)
InChIKeyRECXBMWHEIGXHP-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.70
Rot. Bonds3

About N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide (PubChem CID 108738088) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
PubChem CID108738088
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C17H13N5O/c1-12-6-2-3-7-14(12)17(23)21-16-13(10-18)11-20-22(16)15-8-4-5-9-19-15/h2-9,11H,1H3,(H,21,23)
InChIKeyRECXBMWHEIGXHP-UHFFFAOYSA-N
XLogP2.70
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
2-butan-2-yl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108760938
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108761002
methyl 4-[(E)-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 108738023
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108760984
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propylphenoxy)acetamide
CID 108760998

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide (CID 108738088) is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1c(C#N)cnn1-c1ccccn1.
What is the InChIKey of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide?
The InChIKey is RECXBMWHEIGXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-6-2-3-7-14(12)17(23)21-16-13(10-18)11-20-22(16)15-8-4-5-9-19-15/h2-9,11H,1H3,(H,21,23).
What are the key properties of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide?
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 108738088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).