4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one

C18H16ClN5O2 — CID 86294101

IUPAC4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)C2c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN5O2/c1-10-15-16(21-22(10)2)18(26)24(13-8-9-14(25)23(3)20-13)17(15)11-4-6-12(19)7-5-11/h4-9,17H,1-3H3
InChIKeyFRNOWHXMMCGFDO-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.23
Rot. Bonds2

About 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 86294101) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID86294101
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)C2c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN5O2/c1-10-15-16(21-22(10)2)18(26)24(13-8-9-14(25)23(3)20-13)17(15)11-4-6-12(19)7-5-11/h4-9,17H,1-3H3
InChIKeyFRNOWHXMMCGFDO-UHFFFAOYSA-N
XLogP2.23
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 86294101) is 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)C2c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is FRNOWHXMMCGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-10-15-16(21-22(10)2)18(26)24(13-8-9-14(25)23(3)20-13)17(15)11-4-6-12(19)7-5-11/h4-9,17H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 369.81 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,3-dimethyl-5-(1-methyl-6-oxopyridazin-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 86294101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).