N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide

C16H15N3O4 — CID 51998327

IUPACN-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(=O)c3ccc(OC)cc3o2)cn1
InChIInChI=1S/C16H15N3O4/c1-3-19-9-10(8-17-19)18-16(21)15-7-13(20)12-5-4-11(22-2)6-14(12)23-15/h4-9H,3H2,1-2H3,(H,18,21)
InChIKeyOEUCIILJHAVNII-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.27
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide

N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 51998327) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID51998327
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(=O)c3ccc(OC)cc3o2)cn1
InChIInChI=1S/C16H15N3O4/c1-3-19-9-10(8-17-19)18-16(21)15-7-13(20)12-5-4-11(22-2)6-14(12)23-15/h4-9H,3H2,1-2H3,(H,18,21)
InChIKeyOEUCIILJHAVNII-UHFFFAOYSA-N
XLogP2.27
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
CID 51998294
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide (CID 51998327) is N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide is CCn1cc(NC(=O)c2cc(=O)c3ccc(OC)cc3o2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is OEUCIILJHAVNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-3-19-9-10(8-17-19)18-16(21)15-7-13(20)12-5-4-11(22-2)6-14(12)23-15/h4-9H,3H2,1-2H3,(H,18,21).
What are the key properties of N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide?
N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51998327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).