N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide

C16H21N3O3 — CID 19462670

IUPACN-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H21N3O3/c1-5-19-9-8-13(18-19)11(2)17-16(20)12-6-7-14(21-3)15(10-12)22-4/h6-11H,5H2,1-4H3,(H,17,20)
InChIKeyFZFNKRLPVWSMTR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide

N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 19462670) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID19462670
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H21N3O3/c1-5-19-9-8-13(18-19)11(2)17-16(20)12-6-7-14(21-3)15(10-12)22-4/h6-11H,5H2,1-4H3,(H,17,20)
InChIKeyFZFNKRLPVWSMTR-UHFFFAOYSA-N
XLogP2.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide
CID 19462618
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462655
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19462609
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70788095
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392266

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide (CID 19462670) is N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide is CCn1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is FZFNKRLPVWSMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-19-9-8-13(18-19)11(2)17-16(20)12-6-7-14(21-3)15(10-12)22-4/h6-11H,5H2,1-4H3,(H,17,20).
What are the key properties of N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide?
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 303.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 19462670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).