3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide

C14H17N3O3S — CID 71878539

IUPAC3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C14H17N3O3S/c1-19-11-4-7-21-13(11)14(18)16-12-2-5-15-17(12)8-10-3-6-20-9-10/h2,4-5,7,10H,3,6,8-9H2,1H3,(H,16,18)
InChIKeyJSBBQYKKOFDNAS-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.24
Rot. Bonds5

About 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide

3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 71878539) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID71878539
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C14H17N3O3S/c1-19-11-4-7-21-13(11)14(18)16-12-2-5-15-17(12)8-10-3-6-20-9-10/h2,4-5,7,10H,3,6,8-9H2,1H3,(H,16,18)
InChIKeyJSBBQYKKOFDNAS-UHFFFAOYSA-N
XLogP2.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 71878539) is 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide is COc1ccsc1C(=O)Nc1ccnn1CC1CCOC1.
What is the InChIKey of 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is JSBBQYKKOFDNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-19-11-4-7-21-13(11)14(18)16-12-2-5-15-17(12)8-10-3-6-20-9-10/h2,4-5,7,10H,3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71878539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).