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

C16H21N3O2 — CID 19462831

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCCn1cc(C(C)NC(=O)c2cccc(OC)c2)c(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-19-10-15(12(3)18-19)11(2)17-16(20)13-7-6-8-14(9-13)21-4/h6-11H,5H2,1-4H3,(H,17,20)
InChIKeyPMPMKZGTBTYCBZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds5

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

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide (PubChem CID 19462831) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
PubChem CID19462831
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCCn1cc(C(C)NC(=O)c2cccc(OC)c2)c(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-19-10-15(12(3)18-19)11(2)17-16(20)13-7-6-8-14(9-13)21-4/h6-11H,5H2,1-4H3,(H,17,20)
InChIKeyPMPMKZGTBTYCBZ-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-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
3-[(4-bromophenoxy)methyl]-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1231862
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1235903
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-[(4-methyl-2-nitrophenoxy)methyl]benzamide
CID 19462941
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 19462885
N-[(1S)-1-(2-bromo-4,5-diethoxyphenyl)ethyl]-3-methoxybenzamide
CID 1008434
1-(3-acetylphenyl)-3-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]thiourea
CID 27516695
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19462835
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270846

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide (CID 19462831) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide is CCn1cc(C(C)NC(=O)c2cccc(OC)c2)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
The InChIKey is PMPMKZGTBTYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19-10-15(12(3)18-19)11(2)17-16(20)13-7-6-8-14(9-13)21-4/h6-11H,5H2,1-4H3,(H,17,20).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide?
N-[1-(1-ethyl-3-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-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 19462831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).