[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H22N8O2 — CID 31860015

IUPAC[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C19H22N8O2/c1-3-15-14(13-22-27(15)16-5-6-17(29-2)24-23-16)18(28)25-9-11-26(12-10-25)19-20-7-4-8-21-19/h4-8,13H,3,9-12H2,1-2H3
InChIKeyGGVJQIKBDAICCE-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.99
Rot. Bonds5

About [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 31860015) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID31860015
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C19H22N8O2/c1-3-15-14(13-22-27(15)16-5-6-17(29-2)24-23-16)18(28)25-9-11-26(12-10-25)19-20-7-4-8-21-19/h4-8,13H,3,9-12H2,1-2H3
InChIKeyGGVJQIKBDAICCE-UHFFFAOYSA-N
XLogP0.99
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31956930
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 31857426
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]methanone
CID 31851380
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 31903299
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31964223
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31904438
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55650522
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 39316484
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 31860015) is [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GGVJQIKBDAICCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-3-15-14(13-22-27(15)16-5-6-17(29-2)24-23-16)18(28)25-9-11-26(12-10-25)19-20-7-4-8-21-19/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 394.44 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 31860015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).