2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one

C19H13ClN2O3 — CID 70356329

IUPAC2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one
SMILESCC(=O)Cc1oc2ccccc2c2nn(-c3ccc(Cl)cc3)c(=O)c1-2
InChIInChI=1S/C19H13ClN2O3/c1-11(23)10-16-17-18(14-4-2-3-5-15(14)25-16)21-22(19(17)24)13-8-6-12(20)7-9-13/h2-9H,10H2,1H3
InChIKeyQXEQUWRMUBHKDT-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one

2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one (PubChem CID 70356329) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one
PubChem CID70356329
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one
SMILESCC(=O)Cc1oc2ccccc2c2nn(-c3ccc(Cl)cc3)c(=O)c1-2
InChIInChI=1S/C19H13ClN2O3/c1-11(23)10-16-17-18(14-4-2-3-5-15(14)25-16)21-22(19(17)24)13-8-6-12(20)7-9-13/h2-9H,10H2,1H3
InChIKeyQXEQUWRMUBHKDT-UHFFFAOYSA-N
XLogP3.87
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyanoethyl 2-[2-(4-chlorophenyl)-3-oxochromeno[4,3-c]pyrazol-4-yl]acetate
CID 67946536
ethyl 2-[2-(4-chlorophenyl)-8-hydroxy-3-oxochromeno[4,3-c]pyrazol-4-yl]acetate
CID 56624121
4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one
CID 56630107
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
[2-(4-chlorophenyl)-4-methyl-3-oxochromeno[4,3-c]pyrazol-8-yl] pyridine-3-carboxylate
CID 56614342
1-[3-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167329
N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56589578
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one (CID 70356329) is 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one is CC(=O)Cc1oc2ccccc2c2nn(-c3ccc(Cl)cc3)c(=O)c1-2.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one?
The InChIKey is QXEQUWRMUBHKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c1-11(23)10-16-17-18(14-4-2-3-5-15(14)25-16)21-22(19(17)24)13-8-6-12(20)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one?
2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one has a molecular weight of 352.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2-oxopropyl)chromeno[4,3-c]pyrazol-3-one is sourced from PubChem (CID 70356329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).