1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C17H15N3O2S — CID 22516901

IUPAC1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2cccs2)c2c1-c1ccccc1OC2
InChIInChI=1S/C17H15N3O2S/c1-20-16-12-6-2-3-7-14(12)22-10-13(16)15(19-20)17(21)18-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyBNCOHOADWSZIPF-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.97
Rot. Bonds3

About 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516901) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516901
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2cccs2)c2c1-c1ccccc1OC2
InChIInChI=1S/C17H15N3O2S/c1-20-16-12-6-2-3-7-14(12)22-10-13(16)15(19-20)17(21)18-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyBNCOHOADWSZIPF-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516901) is 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)NCc2cccs2)c2c1-c1ccccc1OC2.
What is the InChIKey of 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is BNCOHOADWSZIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-20-16-12-6-2-3-7-14(12)22-10-13(16)15(19-20)17(21)18-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,18,21).
What are the key properties of 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiophen-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).