4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide

C15H20N4O2S — CID 75375953

IUPAC4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccnn2C2CCN(C)CC2)c1
InChIInChI=1S/C15H20N4O2S/c1-18-7-4-11(5-8-18)19-14(3-6-16-19)17-15(20)13-9-12(21-2)10-22-13/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)
InChIKeyOJPGJEBGNDHXTE-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.47
Rot. Bonds4

About 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide

4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 75375953) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID75375953
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccnn2C2CCN(C)CC2)c1
InChIInChI=1S/C15H20N4O2S/c1-18-7-4-11(5-8-18)19-14(3-6-16-19)17-15(20)13-9-12(21-2)10-22-13/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)
InChIKeyOJPGJEBGNDHXTE-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide (CID 75375953) is 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide is COc1csc(C(=O)Nc2ccnn2C2CCN(C)CC2)c1.
What is the InChIKey of 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is OJPGJEBGNDHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18-7-4-11(5-8-18)19-14(3-6-16-19)17-15(20)13-9-12(21-2)10-22-13/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20).
What are the key properties of 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide?
4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 75375953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).