3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

C14H17N3O3 — CID 77093843

IUPAC3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O3/c1-19-12-5-11(6-13(7-12)20-2)14(18)15-4-3-10-8-16-17-9-10/h5-9H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYWZFUSRIHUFTHZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 77093843) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID77093843
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O3/c1-19-12-5-11(6-13(7-12)20-2)14(18)15-4-3-10-8-16-17-9-10/h5-9H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYWZFUSRIHUFTHZ-UHFFFAOYSA-N
XLogP1.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154901499
3,5-dimethoxy-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660556
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787364
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110788429

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide (CID 77093843) is 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2cn[nH]c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is YWZFUSRIHUFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-5-11(6-13(7-12)20-2)14(18)15-4-3-10-8-16-17-9-10/h5-9H,3-4H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 77093843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).