N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide

C13H15N3O — CID 113227581

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1
InChIInChI=1S/C13H15N3O/c1-8-5-4-6-11(7-8)13(17)14-12-9(2)10(3)15-16-12/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyJNULAHHOOSKBNX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide (PubChem CID 113227581) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
PubChem CID113227581
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1
InChIInChI=1S/C13H15N3O/c1-8-5-4-6-11(7-8)13(17)14-12-9(2)10(3)15-16-12/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyJNULAHHOOSKBNX-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide (CID 113227581) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
The InChIKey is JNULAHHOOSKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-5-4-6-11(7-8)13(17)14-12-9(2)10(3)15-16-12/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide is sourced from PubChem (CID 113227581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).