3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide

C12H9ClN4O — CID 110473457

IUPAC3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H9ClN4O/c1-7-9(3-2-4-10(7)13)12(18)16-11-8(5-14)6-15-17-11/h2-4,6H,1H3,(H2,15,16,17,18)
InChIKeyVUOGWWLDFQFWKJ-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.50
Rot. Bonds2

About 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide

3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide (PubChem CID 110473457) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
PubChem CID110473457
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H9ClN4O/c1-7-9(3-2-4-10(7)13)12(18)16-11-8(5-14)6-15-17-11/h2-4,6H,1H3,(H2,15,16,17,18)
InChIKeyVUOGWWLDFQFWKJ-UHFFFAOYSA-N
XLogP2.50
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79503748
N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79504220
N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
CID 79802018
N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide
CID 78913763
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide (CID 110473457) is 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide?
The InChIKey is VUOGWWLDFQFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-7-9(3-2-4-10(7)13)12(18)16-11-8(5-14)6-15-17-11/h2-4,6H,1H3,(H2,15,16,17,18).
What are the key properties of 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide?
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide has a molecular weight of 260.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 110473457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).