N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide

C16H21N3O2 — CID 19467077

IUPACN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCCn1ncc(C(C)NC(=O)c2cccc(OC)c2)c1C
InChIInChI=1S/C16H21N3O2/c1-5-19-12(3)15(10-17-19)11(2)18-16(20)13-7-6-8-14(9-13)21-4/h6-11H,5H2,1-4H3,(H,18,20)
InChIKeyCZUSGUGDWQCIJL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds5

About N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide (PubChem CID 19467077) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
PubChem CID19467077
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCCn1ncc(C(C)NC(=O)c2cccc(OC)c2)c1C
InChIInChI=1S/C16H21N3O2/c1-5-19-12(3)15(10-17-19)11(2)18-16(20)13-7-6-8-14(9-13)21-4/h6-11H,5H2,1-4H3,(H,18,20)
InChIKeyCZUSGUGDWQCIJL-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467140
3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467120
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19469039
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560591
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
CID 19296682
N-[(1S)-1-(2-bromo-4,5-diethoxyphenyl)ethyl]-3-methoxybenzamide
CID 1008434
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide (CID 19467077) is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide is CCn1ncc(C(C)NC(=O)c2cccc(OC)c2)c1C.
What is the InChIKey of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
The InChIKey is CZUSGUGDWQCIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19-12(3)15(10-17-19)11(2)18-16(20)13-7-6-8-14(9-13)21-4/h6-11H,5H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide has a molecular weight of 287.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 19467077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).