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

C15H19N3O2 — CID 42686722

IUPACN-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
SMILESCCc1n[nH]c(CC)c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H19N3O2/c1-4-12-14(13(5-2)18-17-12)16-15(19)10-7-6-8-11(9-10)20-3/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyNXQRUMREHNIYLG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.80
Rot. Bonds5

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

N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide (PubChem CID 42686722) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
PubChem CID42686722
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
SMILESCCc1n[nH]c(CC)c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H19N3O2/c1-4-12-14(13(5-2)18-17-12)16-15(19)10-7-6-8-11(9-10)20-3/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyNXQRUMREHNIYLG-UHFFFAOYSA-N
XLogP2.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.80
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
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-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
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
3-methoxy-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]benzamide
CID 1510441

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
The IUPAC name of N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide (CID 42686722) is N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide is CCc1n[nH]c(CC)c1NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
The InChIKey is NXQRUMREHNIYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-12-14(13(5-2)18-17-12)16-15(19)10-7-6-8-11(9-10)20-3/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide?
N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethyl-1H-pyrazol-4-yl)-3-methoxybenzamide is sourced from PubChem (CID 42686722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).