3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C14H18N6O2 — CID 90506344

IUPAC3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H18N6O2/c1-9-13(10(2)16-15-9)19-5-7-20(8-6-19)14(22)11-3-4-12(21)18-17-11/h3-4H,5-8H2,1-2H3,(H,15,16)(H,18,21)
InChIKeyGWUARFNUPSPYGW-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.07
Rot. Bonds2

About 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 90506344) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID90506344
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H18N6O2/c1-9-13(10(2)16-15-9)19-5-7-20(8-6-19)14(22)11-3-4-12(21)18-17-11/h3-4H,5-8H2,1-2H3,(H,15,16)(H,18,21)
InChIKeyGWUARFNUPSPYGW-UHFFFAOYSA-N
XLogP0.07
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 90506344) is 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is GWUARFNUPSPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-13(10(2)16-15-9)19-5-7-20(8-6-19)14(22)11-3-4-12(21)18-17-11/h3-4H,5-8H2,1-2H3,(H,15,16)(H,18,21).
What are the key properties of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 302.34 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 90506344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).