[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone

C19H19FN6O — CID 121060618

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nn1
InChIInChI=1S/C19H19FN6O/c1-13-2-7-18(24-21-13)25-8-10-26(11-9-25)19(27)17-12-16(22-23-17)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3,(H,22,23)
InChIKeyINQYOAQUNLRARA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.28
Rot. Bonds3

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121060618) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121060618
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nn1
InChIInChI=1S/C19H19FN6O/c1-13-2-7-18(24-21-13)25-8-10-26(11-9-25)19(27)17-12-16(22-23-17)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3,(H,22,23)
InChIKeyINQYOAQUNLRARA-UHFFFAOYSA-N
XLogP2.28
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121060618) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nn1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is INQYOAQUNLRARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-13-2-7-18(24-21-13)25-8-10-26(11-9-25)19(27)17-12-16(22-23-17)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3,(H,22,23).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 366.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121060618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).