3-(4-methylpyrazole-1-carbonyl)chromen-2-one

C14H10N2O3 — CID 1245494

IUPAC3-(4-methylpyrazole-1-carbonyl)chromen-2-one
SMILESCc1cnn(C(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C14H10N2O3/c1-9-7-15-16(8-9)13(17)11-6-10-4-2-3-5-12(10)19-14(11)18/h2-8H,1H3
InChIKeyPRGCXABGJRHJJH-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.99
Rot. Bonds1

About 3-(4-methylpyrazole-1-carbonyl)chromen-2-one

3-(4-methylpyrazole-1-carbonyl)chromen-2-one (PubChem CID 1245494) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(4-methylpyrazole-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(4-methylpyrazole-1-carbonyl)chromen-2-one
PubChem CID1245494
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(4-methylpyrazole-1-carbonyl)chromen-2-one
SMILESCc1cnn(C(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C14H10N2O3/c1-9-7-15-16(8-9)13(17)11-6-10-4-2-3-5-12(10)19-14(11)18/h2-8H,1H3
InChIKeyPRGCXABGJRHJJH-UHFFFAOYSA-N
XLogP1.99
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazole-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(4-methylpyrazole-1-carbonyl)chromen-2-one (CID 1245494) is 3-(4-methylpyrazole-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(4-methylpyrazole-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(4-methylpyrazole-1-carbonyl)chromen-2-one is Cc1cnn(C(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of 3-(4-methylpyrazole-1-carbonyl)chromen-2-one?
The InChIKey is PRGCXABGJRHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-9-7-15-16(8-9)13(17)11-6-10-4-2-3-5-12(10)19-14(11)18/h2-8H,1H3.
What are the key properties of 3-(4-methylpyrazole-1-carbonyl)chromen-2-one?
3-(4-methylpyrazole-1-carbonyl)chromen-2-one has a molecular weight of 254.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazole-1-carbonyl)chromen-2-one is sourced from PubChem (CID 1245494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).