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N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide

C18H23N3O4 — CID 155910818

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1ccc(Cn2nc(C)cc2NC(=O)C2CCOC2)cc1OC
InChIInChI=1S/C18H23N3O4/c1-12-8-17(19-18(22)14-6-7-25-11-14)21(20-12)10-13-4-5-15(23-2)16(9-13)24-3/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H,19,22)
InChIKeyLDIFJCSZKUMZPR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.23
Rot. Bonds6

About N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide

N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 155910818) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide
PubChem CID155910818
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1ccc(Cn2nc(C)cc2NC(=O)C2CCOC2)cc1OC
InChIInChI=1S/C18H23N3O4/c1-12-8-17(19-18(22)14-6-7-25-11-14)21(20-12)10-13-4-5-15(23-2)16(9-13)24-3/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H,19,22)
InChIKeyLDIFJCSZKUMZPR-UHFFFAOYSA-N
XLogP2.23
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide (CID 155910818) is N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide is COc1ccc(Cn2nc(C)cc2NC(=O)C2CCOC2)cc1OC.
What is the InChIKey of N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is LDIFJCSZKUMZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-8-17(19-18(22)14-6-7-25-11-14)21(20-12)10-13-4-5-15(23-2)16(9-13)24-3/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 155910818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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