1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine

C20H25Cl2N5O — CID 165119967

IUPAC1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine
SMILESCNC(=O)NC1CC1c1ccc(Cl)cc1Cl.c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C11H12Cl2N2O.C9H13N3/c1-14-11(16)15-10-5-8(10)7-3-2-6(12)4-9(7)13;1-2-7-12(8-3-1)9-5-4-6-10-11-9/h2-4,8,10H,5H2,1H3,(H2,14,15,16);4-6H,1-3,7-8H2
InChIKeyCSRXTZARZAOZPF-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.25
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine

1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine (PubChem CID 165119967) has the molecular formula C20H25Cl2N5O and a molecular weight of 422.36 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine
PubChem CID165119967
Molecular FormulaC20H25Cl2N5O
Molecular Weight422.36 g/mol
Exact Mass421.14
IUPAC Name1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine
SMILESCNC(=O)NC1CC1c1ccc(Cl)cc1Cl.c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C11H12Cl2N2O.C9H13N3/c1-14-11(16)15-10-5-8(10)7-3-2-6(12)4-9(7)13;1-2-7-12(8-3-1)9-5-4-6-10-11-9/h2-4,8,10H,5H2,1H3,(H2,14,15,16);4-6H,1-3,7-8H2
InChIKeyCSRXTZARZAOZPF-UHFFFAOYSA-N
XLogP4.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine (CID 165119967) is 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine is CNC(=O)NC1CC1c1ccc(Cl)cc1Cl.c1cnnc(N2CCCCC2)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine?
The InChIKey is CSRXTZARZAOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O.C9H13N3/c1-14-11(16)15-10-5-8(10)7-3-2-6(12)4-9(7)13;1-2-7-12(8-3-1)9-5-4-6-10-11-9/h2-4,8,10H,5H2,1H3,(H2,14,15,16);4-6H,1-3,7-8H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine?
1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine has a molecular weight of 422.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine is sourced from PubChem (CID 165119967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).