6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide

C20H17N3O3S — CID 35673708

IUPAC6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2c1
InChIInChI=1S/C20H17N3O3S/c1-2-13-5-6-17-15(10-13)16(24)11-18(26-17)20(25)22-19-7-8-21-23(19)12-14-4-3-9-27-14/h3-11H,2,12H2,1H3,(H,22,25)
InChIKeyIEVIYXPKEUNHLO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.91
Rot. Bonds5

About 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide

6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide (PubChem CID 35673708) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
PubChem CID35673708
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2c1
InChIInChI=1S/C20H17N3O3S/c1-2-13-5-6-17-15(10-13)16(24)11-18(26-17)20(25)22-19-7-8-21-23(19)12-14-4-3-9-27-14/h3-11H,2,12H2,1H3,(H,22,25)
InChIKeyIEVIYXPKEUNHLO-UHFFFAOYSA-N
XLogP3.91
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 39834838
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39834952
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911528
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
The IUPAC name of 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide (CID 35673708) is 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
The canonical SMILES for 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide is CCc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
The InChIKey is IEVIYXPKEUNHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-13-5-6-17-15(10-13)16(24)11-18(26-17)20(25)22-19-7-8-21-23(19)12-14-4-3-9-27-14/h3-11H,2,12H2,1H3,(H,22,25).
What are the key properties of 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide is sourced from PubChem (CID 35673708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).