N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide

C15H19N3O3 — CID 4863036

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide
SMILESCCn1ccc(CNC(=O)c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C15H19N3O3/c1-4-18-6-5-12(17-18)10-16-15(19)11-7-13(20-2)9-14(8-11)21-3/h5-9H,4,10H2,1-3H3,(H,16,19)
InChIKeyCHHSHMUZIQONTI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.85
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide

N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 4863036) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID4863036
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide
SMILESCCn1ccc(CNC(=O)c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C15H19N3O3/c1-4-18-6-5-12(17-18)10-16-15(19)11-7-13(20-2)9-14(8-11)21-3/h5-9H,4,10H2,1-3H3,(H,16,19)
InChIKeyCHHSHMUZIQONTI-UHFFFAOYSA-N
XLogP1.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide (CID 4863036) is N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide is CCn1ccc(CNC(=O)c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is CHHSHMUZIQONTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18-6-5-12(17-18)10-16-15(19)11-7-13(20-2)9-14(8-11)21-3/h5-9H,4,10H2,1-3H3,(H,16,19).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide?
N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 289.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 4863036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).