3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide

C15H19N3O3S — CID 136521322

IUPAC3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H19N3O3S/c1-20-10-11-4-6-22-14(11)15(19)17-12-7-16-18(8-12)9-13-3-2-5-21-13/h4,6-8,13H,2-3,5,9-10H2,1H3,(H,17,19)
InChIKeyWBUXQEJLTDRPOF-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.52
Rot. Bonds6

About 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide

3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 136521322) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID136521322
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H19N3O3S/c1-20-10-11-4-6-22-14(11)15(19)17-12-7-16-18(8-12)9-13-3-2-5-21-13/h4,6-8,13H,2-3,5,9-10H2,1H3,(H,17,19)
InChIKeyWBUXQEJLTDRPOF-UHFFFAOYSA-N
XLogP2.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 136553327
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 121145254
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 47327915
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (CID 136521322) is 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is COCc1ccsc1C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is WBUXQEJLTDRPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-10-11-4-6-22-14(11)15(19)17-12-7-16-18(8-12)9-13-3-2-5-21-13/h4,6-8,13H,2-3,5,9-10H2,1H3,(H,17,19).
What are the key properties of 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 136521322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).