1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone

C20H25N5O — CID 90506349

IUPAC1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C20H25N5O/c1-14-20(15(2)22-21-14)25-10-8-24(9-11-25)19(26)12-16-13-23(3)18-7-5-4-6-17(16)18/h4-7,13H,8-12H2,1-3H3,(H,21,22)
InChIKeyLBYNXXOSWLZMNO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone

1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 90506349) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID90506349
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C20H25N5O/c1-14-20(15(2)22-21-14)25-10-8-24(9-11-25)19(26)12-16-13-23(3)18-7-5-4-6-17(16)18/h4-7,13H,8-12H2,1-3H3,(H,21,22)
InChIKeyLBYNXXOSWLZMNO-UHFFFAOYSA-N
XLogP2.41
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506507
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581617
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
2-benzylsulfanyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506462
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90506464
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone (CID 90506349) is 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone is Cc1n[nH]c(C)c1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is LBYNXXOSWLZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-20(15(2)22-21-14)25-10-8-24(9-11-25)19(26)12-16-13-23(3)18-7-5-4-6-17(16)18/h4-7,13H,8-12H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone?
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 90506349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).