[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone

C25H32N6O2 — CID 31903299

IUPAC[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C25H32N6O2/c1-5-22-21(16-26-31(22)23-10-11-24(33-4)28-27-23)25(32)30-14-12-29(13-15-30)17-19-6-8-20(9-7-19)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3
InChIKeyRTAKZGOSKGBRFK-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.31
Rot. Bonds7

About [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone

[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 31903299) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID31903299
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C25H32N6O2/c1-5-22-21(16-26-31(22)23-10-11-24(33-4)28-27-23)25(32)30-14-12-29(13-15-30)17-19-6-8-20(9-7-19)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3
InChIKeyRTAKZGOSKGBRFK-UHFFFAOYSA-N
XLogP3.31
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-[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
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
[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-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone
CID 39694464
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone (CID 31903299) is [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is RTAKZGOSKGBRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-5-22-21(16-26-31(22)23-10-11-24(33-4)28-27-23)25(32)30-14-12-29(13-15-30)17-19-6-8-20(9-7-19)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3.
What are the key properties of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 448.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 31903299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).