2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol

C10H12ClN5O — CID 167915101

IUPAC2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol
SMILESCc1c(Nc2ccc(Cl)nn2)cnn1CCO
InChIInChI=1S/C10H12ClN5O/c1-7-8(6-12-16(7)4-5-17)13-10-3-2-9(11)14-15-10/h2-3,6,17H,4-5H2,1H3,(H,13,15)
InChIKeyZUBVJGAXKUGIFA-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol

2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol (PubChem CID 167915101) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol
PubChem CID167915101
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol
SMILESCc1c(Nc2ccc(Cl)nn2)cnn1CCO
InChIInChI=1S/C10H12ClN5O/c1-7-8(6-12-16(7)4-5-17)13-10-3-2-9(11)14-15-10/h2-3,6,17H,4-5H2,1H3,(H,13,15)
InChIKeyZUBVJGAXKUGIFA-UHFFFAOYSA-N
XLogP1.37
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol (CID 167915101) is 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol is Cc1c(Nc2ccc(Cl)nn2)cnn1CCO.
What is the InChIKey of 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol?
The InChIKey is ZUBVJGAXKUGIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-7-8(6-12-16(7)4-5-17)13-10-3-2-9(11)14-15-10/h2-3,6,17H,4-5H2,1H3,(H,13,15).
What are the key properties of 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol?
2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol has a molecular weight of 253.69 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloropyridazin-3-yl)amino]-5-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 167915101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).