5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile

C10H7Cl2N5O — CID 55237907

IUPAC5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C#N
InChIInChI=1S/C10H7Cl2N5O/c1-18-5-7-6(4-13)10(12)17(16-7)9-3-2-8(11)14-15-9/h2-3H,5H2,1H3
InChIKeyMTYXOARYDCYHKT-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.99
Rot. Bonds3

About 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile

5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile (PubChem CID 55237907) has the molecular formula C10H7Cl2N5O and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile
PubChem CID55237907
Molecular FormulaC10H7Cl2N5O
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C#N
InChIInChI=1S/C10H7Cl2N5O/c1-18-5-7-6(4-13)10(12)17(16-7)9-3-2-8(11)14-15-9/h2-3H,5H2,1H3
InChIKeyMTYXOARYDCYHKT-UHFFFAOYSA-N
XLogP1.99
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile (CID 55237907) is 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile is COCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C#N.
What is the InChIKey of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
The InChIKey is MTYXOARYDCYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O/c1-18-5-7-6(4-13)10(12)17(16-7)9-3-2-8(11)14-15-9/h2-3H,5H2,1H3.
What are the key properties of 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile has a molecular weight of 284.11 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 55237907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).