[3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate

C15H13N5O3 — CID 89051291

IUPAC[3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate
SMILESNC(=O)Oc1cccc(Cc2nn(-c3cn[nH]c3)ccc2=O)c1
InChIInChI=1S/C15H13N5O3/c16-15(22)23-12-3-1-2-10(6-12)7-13-14(21)4-5-20(19-13)11-8-17-18-9-11/h1-6,8-9H,7H2,(H2,16,22)(H,17,18)
InChIKeyGUORHIJIIJYROZ-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.00
Rot. Bonds4

About [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate

[3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate (PubChem CID 89051291) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate.

Molecular Properties

Compound Name[3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate
PubChem CID89051291
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name[3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate
SMILESNC(=O)Oc1cccc(Cc2nn(-c3cn[nH]c3)ccc2=O)c1
InChIInChI=1S/C15H13N5O3/c16-15(22)23-12-3-1-2-10(6-12)7-13-14(21)4-5-20(19-13)11-8-17-18-9-11/h1-6,8-9H,7H2,(H2,16,22)(H,17,18)
InChIKeyGUORHIJIIJYROZ-UHFFFAOYSA-N
XLogP1.00
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate?
The IUPAC name of [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate (CID 89051291) is [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate.
What is the SMILES notation for [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate?
The canonical SMILES for [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate is NC(=O)Oc1cccc(Cc2nn(-c3cn[nH]c3)ccc2=O)c1.
What is the InChIKey of [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate?
The InChIKey is GUORHIJIIJYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c16-15(22)23-12-3-1-2-10(6-12)7-13-14(21)4-5-20(19-13)11-8-17-18-9-11/h1-6,8-9H,7H2,(H2,16,22)(H,17,18).
What are the key properties of [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate?
[3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate has a molecular weight of 311.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-oxo-1-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]phenyl] carbamate is sourced from PubChem (CID 89051291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).