3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C14H17N3O2 — CID 103856038

IUPAC3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2cn[nH]c2)ccc1C
InChIInChI=1S/C14H17N3O2/c1-9-4-5-11(6-13(9)19-3)14(18)17-10(2)12-7-15-16-8-12/h4-8,10H,1-3H3,(H,15,16)(H,17,18)
InChIKeyTXYDNPMRIAJXEU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.22
Rot. Bonds4

About 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103856038) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103856038
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2cn[nH]c2)ccc1C
InChIInChI=1S/C14H17N3O2/c1-9-4-5-11(6-13(9)19-3)14(18)17-10(2)12-7-15-16-8-12/h4-8,10H,1-3H3,(H,15,16)(H,17,18)
InChIKeyTXYDNPMRIAJXEU-UHFFFAOYSA-N
XLogP2.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856688
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103856038) is 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is COc1cc(C(=O)NC(C)c2cn[nH]c2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is TXYDNPMRIAJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-5-11(6-13(9)19-3)14(18)17-10(2)12-7-15-16-8-12/h4-8,10H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103856038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).