4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide

C11H13N3O2S — CID 79465659

IUPAC4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)Cc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3O2S/c1-14(6-8-4-12-13-5-8)11(15)10-3-9(16-2)7-17-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyXVWJYAFZIKPWDK-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.75
Rot. Bonds4

About 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide

4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 79465659) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide
PubChem CID79465659
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)Cc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3O2S/c1-14(6-8-4-12-13-5-8)11(15)10-3-9(16-2)7-17-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyXVWJYAFZIKPWDK-UHFFFAOYSA-N
XLogP1.75
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide (CID 79465659) is 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide is COc1csc(C(=O)N(C)Cc2cn[nH]c2)c1.
What is the InChIKey of 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XVWJYAFZIKPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14(6-8-4-12-13-5-8)11(15)10-3-9(16-2)7-17-10/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79465659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).