3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

C18H23N3O4 — CID 42879342

IUPAC3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CCCO3)n(C)n2)c(OC)c1
InChIInChI=1S/C18H23N3O4/c1-21-16(18(22)19-11-13-5-4-8-25-13)10-15(20-21)14-7-6-12(23-2)9-17(14)24-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,19,22)
InChIKeyVDXALKYQEXXVHU-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.01
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 42879342) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID42879342
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CCCO3)n(C)n2)c(OC)c1
InChIInChI=1S/C18H23N3O4/c1-21-16(18(22)19-11-13-5-4-8-25-13)10-15(20-21)14-7-6-12(23-2)9-17(14)24-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,19,22)
InChIKeyVDXALKYQEXXVHU-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228852
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105329
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (CID 42879342) is 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC3CCCO3)n(C)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is VDXALKYQEXXVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-21-16(18(22)19-11-13-5-4-8-25-13)10-15(20-21)14-7-6-12(23-2)9-17(14)24-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,19,22).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42879342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).