[5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol

C10H10Cl2N4O2 — CID 55062643

IUPAC[5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1CO
InChIInChI=1S/C10H10Cl2N4O2/c1-18-5-7-6(4-17)10(12)16(15-7)9-3-2-8(11)13-14-9/h2-3,17H,4-5H2,1H3
InChIKeyUYTUKBIDLVLBQT-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.61
Rot. Bonds4

About [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol

[5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol (PubChem CID 55062643) has the molecular formula C10H10Cl2N4O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol
PubChem CID55062643
Molecular FormulaC10H10Cl2N4O2
Molecular Weight289.12 g/mol
Exact Mass288.02
IUPAC Name[5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1CO
InChIInChI=1S/C10H10Cl2N4O2/c1-18-5-7-6(4-17)10(12)16(15-7)9-3-2-8(11)13-14-9/h2-3,17H,4-5H2,1H3
InChIKeyUYTUKBIDLVLBQT-UHFFFAOYSA-N
XLogP1.61
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.61
H-Bond Donors ≤ 51
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)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol (CID 55062643) is [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol is COCc1nn(-c2ccc(Cl)nn2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
The InChIKey is UYTUKBIDLVLBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2/c1-18-5-7-6(4-17)10(12)16(15-7)9-3-2-8(11)13-14-9/h2-3,17H,4-5H2,1H3.
What are the key properties of [5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
[5-chloro-1-(6-chloropyridazin-3-yl)-3-(methoxymethyl)pyrazol-4-yl]methanol has a molecular weight of 289.12 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 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)pyrazol-4-yl]methanol is sourced from PubChem (CID 55062643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).