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

C18H17N3O2S — CID 22517004

IUPAC1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccsc2)c2c1-c1ccccc1OC2
InChIInChI=1S/C18H17N3O2S/c1-21-17-13-4-2-3-5-15(13)23-10-14(17)16(20-21)18(22)19-8-6-12-7-9-24-11-12/h2-5,7,9,11H,6,8,10H2,1H3,(H,19,22)
InChIKeyNBWFHUHBGQNTGN-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.01
Rot. Bonds4

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

1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517004) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517004
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccsc2)c2c1-c1ccccc1OC2
InChIInChI=1S/C18H17N3O2S/c1-21-17-13-4-2-3-5-15(13)23-10-14(17)16(20-21)18(22)19-8-6-12-7-9-24-11-12/h2-5,7,9,11H,6,8,10H2,1H3,(H,19,22)
InChIKeyNBWFHUHBGQNTGN-UHFFFAOYSA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22517004) is 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2ccsc2)c2c1-c1ccccc1OC2.
What is the InChIKey of 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is NBWFHUHBGQNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21-17-13-4-2-3-5-15(13)23-10-14(17)16(20-21)18(22)19-8-6-12-7-9-24-11-12/h2-5,7,9,11H,6,8,10H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).