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

C18H13ClN2O3 — CID 56630107

IUPAC4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one
SMILESO=c1c2c(-c3ccc(Cl)cc3)oc3ccccc3c-2nn1CCO
InChIInChI=1S/C18H13ClN2O3/c19-12-7-5-11(6-8-12)17-15-16(20-21(9-10-22)18(15)23)13-3-1-2-4-14(13)24-17/h1-8,22H,9-10H2
InChIKeyRUHGRZMWNVSKAY-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.41
Rot. Bonds3

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

4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one (PubChem CID 56630107) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one
PubChem CID56630107
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one
SMILESO=c1c2c(-c3ccc(Cl)cc3)oc3ccccc3c-2nn1CCO
InChIInChI=1S/C18H13ClN2O3/c19-12-7-5-11(6-8-12)17-15-16(20-21(9-10-22)18(15)23)13-3-1-2-4-14(13)24-17/h1-8,22H,9-10H2
InChIKeyRUHGRZMWNVSKAY-UHFFFAOYSA-N
XLogP3.41
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one (CID 56630107) is 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one is O=c1c2c(-c3ccc(Cl)cc3)oc3ccccc3c-2nn1CCO.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one?
The InChIKey is RUHGRZMWNVSKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-12-7-5-11(6-8-12)17-15-16(20-21(9-10-22)18(15)23)13-3-1-2-4-14(13)24-17/h1-8,22H,9-10H2.
What are the key properties of 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one?
4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one has a molecular weight of 340.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-hydroxyethyl)chromeno[4,3-c]pyrazol-3-one is sourced from PubChem (CID 56630107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).