4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

C17H17N3O2S — CID 71982665

IUPAC4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C17H17N3O2S/c1-22-15-9-16(23-12-15)17(21)18-10-13-3-5-14(6-4-13)11-20-8-2-7-19-20/h2-9,12H,10-11H2,1H3,(H,18,21)
InChIKeyZCOPVYTXCUIKGF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.93
Rot. Bonds6

About 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 71982665) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID71982665
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C17H17N3O2S/c1-22-15-9-16(23-12-15)17(21)18-10-13-3-5-14(6-4-13)11-20-8-2-7-19-20/h2-9,12H,10-11H2,1H3,(H,18,21)
InChIKeyZCOPVYTXCUIKGF-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (CID 71982665) is 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is COc1csc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1.
What is the InChIKey of 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is ZCOPVYTXCUIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-15-9-16(23-12-15)17(21)18-10-13-3-5-14(6-4-13)11-20-8-2-7-19-20/h2-9,12H,10-11H2,1H3,(H,18,21).
What are the key properties of 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71982665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).