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

C10H11N3O2S — CID 79465561

IUPAC4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C10H11N3O2S/c1-15-8-2-9(16-6-8)10(14)11-3-7-4-12-13-5-7/h2,4-6H,3H2,1H3,(H,11,14)(H,12,13)
InChIKeyURBFRKNNISFVKG-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.41
Rot. Bonds4

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

4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 79465561) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide
PubChem CID79465561
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C10H11N3O2S/c1-15-8-2-9(16-6-8)10(14)11-3-7-4-12-13-5-7/h2,4-6H,3H2,1H3,(H,11,14)(H,12,13)
InChIKeyURBFRKNNISFVKG-UHFFFAOYSA-N
XLogP1.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide (CID 79465561) is 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide is COc1csc(C(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is URBFRKNNISFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-8-2-9(16-6-8)10(14)11-3-7-4-12-13-5-7/h2,4-6H,3H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide?
4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1H-pyrazol-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79465561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).