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

C13H15N3O2 — CID 894645

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H15N3O2/c1-8-12(9(2)16-15-8)14-13(17)10-5-4-6-11(7-10)18-3/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeySAEUKNUWAZINCF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.29
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide (PubChem CID 894645) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
PubChem CID894645
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H15N3O2/c1-8-12(9(2)16-15-8)14-13(17)10-5-4-6-11(7-10)18-3/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeySAEUKNUWAZINCF-UHFFFAOYSA-N
XLogP2.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methoxybenzamide
CID 5330980
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
3-methoxy-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 1503692
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
N-(5-methyl-1H-pyrazol-3-yl)-3-phenoxybenzamide
CID 2360970
N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 16022607
3-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}-N-(3-methoxybenzyl)propanamide
CID 16190988
3-(2-chloro-5-methoxyphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
CID 49790286
3-(3-methoxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 16022631
US10022354, Example 159
CID 121279663
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
CID 895159

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide (CID 894645) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
The InChIKey is SAEUKNUWAZINCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-12(9(2)16-15-8)14-13(17)10-5-4-6-11(7-10)18-3/h4-7H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide has a molecular weight of 245.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide is sourced from PubChem (CID 894645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).