(6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene

C15H14ClF2N5 — CID 91022192

IUPAC(6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene
SMILESFc1ccc(C/N=N/c2cc(N3CCCC3)c(Cl)nn2)c(F)c1
InChIInChI=1S/C15H14ClF2N5/c16-15-13(23-5-1-2-6-23)8-14(21-22-15)20-19-9-10-3-4-11(17)7-12(10)18/h3-4,7-8H,1-2,5-6,9H2/b20-19+
InChIKeyFSVXQYACDUJHPS-FMQUCBEESA-N
MW337.76 g/mol
LogP4.29
Rot. Bonds4

About (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene

(6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene (PubChem CID 91022192) has the molecular formula C15H14ClF2N5 and a molecular weight of 337.76 g/mol. Its IUPAC name is (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene.

Molecular Properties

Compound Name(6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene
PubChem CID91022192
Molecular FormulaC15H14ClF2N5
Molecular Weight337.76 g/mol
Exact Mass337.09
IUPAC Name(6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene
SMILESFc1ccc(C/N=N/c2cc(N3CCCC3)c(Cl)nn2)c(F)c1
InChIInChI=1S/C15H14ClF2N5/c16-15-13(23-5-1-2-6-23)8-14(21-22-15)20-19-9-10-3-4-11(17)7-12(10)18/h3-4,7-8H,1-2,5-6,9H2/b20-19+
InChIKeyFSVXQYACDUJHPS-FMQUCBEESA-N
XLogP4.29
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene?
The IUPAC name of (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene (CID 91022192) is (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene.
What is the SMILES notation for (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene?
The canonical SMILES for (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene is Fc1ccc(C/N=N/c2cc(N3CCCC3)c(Cl)nn2)c(F)c1.
What is the InChIKey of (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene?
The InChIKey is FSVXQYACDUJHPS-FMQUCBEESA-N. The full InChI is InChI=1S/C15H14ClF2N5/c16-15-13(23-5-1-2-6-23)8-14(21-22-15)20-19-9-10-3-4-11(17)7-12(10)18/h3-4,7-8H,1-2,5-6,9H2/b20-19+.
What are the key properties of (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene?
(6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene has a molecular weight of 337.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-pyrrolidin-1-ylpyridazin-3-yl)-[(2,4-difluorophenyl)methyl]diazene is sourced from PubChem (CID 91022192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).