N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C16H13N3O2S — CID 71802842

IUPACN-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C16H13N3O2S/c20-16(17-8-10-4-3-7-22-10)15-12-9-21-13-6-2-1-5-11(13)14(12)18-19-15/h1-7H,8-9H2,(H,17,20)(H,18,19)
InChIKeyHIJLGWNCMGXMEU-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.96
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 71802842) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID71802842
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C16H13N3O2S/c20-16(17-8-10-4-3-7-22-10)15-12-9-21-13-6-2-1-5-11(13)14(12)18-19-15/h1-7H,8-9H2,(H,17,20)(H,18,19)
InChIKeyHIJLGWNCMGXMEU-UHFFFAOYSA-N
XLogP2.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 71802842) is N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is O=C(NCc1cccs1)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is HIJLGWNCMGXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-16(17-8-10-4-3-7-22-10)15-12-9-21-13-6-2-1-5-11(13)14(12)18-19-15/h1-7H,8-9H2,(H,17,20)(H,18,19).
What are the key properties of N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 71802842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).