1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

C17H17Cl2FN2O2 — CID 90434436

IUPAC1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESO=c1c(-c2cc(OCC3CC3)c(Cl)cc2F)c(Cl)n2n1CCCC2
InChIInChI=1S/C17H17Cl2FN2O2/c18-12-8-13(20)11(7-14(12)24-9-10-3-4-10)15-16(19)21-5-1-2-6-22(21)17(15)23/h7-8,10H,1-6,9H2
InChIKeyHINFVRLEQYTUEI-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.35
Rot. Bonds4

About 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434436) has the molecular formula C17H17Cl2FN2O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID90434436
Molecular FormulaC17H17Cl2FN2O2
Molecular Weight371.24 g/mol
Exact Mass370.07
IUPAC Name1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESO=c1c(-c2cc(OCC3CC3)c(Cl)cc2F)c(Cl)n2n1CCCC2
InChIInChI=1S/C17H17Cl2FN2O2/c18-12-8-13(20)11(7-14(12)24-9-10-3-4-10)15-16(19)21-5-1-2-6-22(21)17(15)23/h7-8,10H,1-6,9H2
InChIKeyHINFVRLEQYTUEI-UHFFFAOYSA-N
XLogP4.35
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434436) is 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is O=c1c(-c2cc(OCC3CC3)c(Cl)cc2F)c(Cl)n2n1CCCC2.
What is the InChIKey of 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is HINFVRLEQYTUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2/c18-12-8-13(20)11(7-14(12)24-9-10-3-4-10)15-16(19)21-5-1-2-6-22(21)17(15)23/h7-8,10H,1-6,9H2.
What are the key properties of 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 371.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).