1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C20H26N4O — CID 118773140

IUPAC1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H26N4O/c1-16-6-8-21-24(16)9-7-20(25)23-12-10-22(11-13-23)19-14-17-4-2-3-5-18(17)15-19/h2-6,8,19H,7,9-15H2,1H3
InChIKeyFAISDXCKNFXGAO-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 118773140) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID118773140
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H26N4O/c1-16-6-8-21-24(16)9-7-20(25)23-12-10-22(11-13-23)19-14-17-4-2-3-5-18(17)15-19/h2-6,8,19H,7,9-15H2,1H3
InChIKeyFAISDXCKNFXGAO-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110108555
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 19560246
(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124996817
1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 91783232
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110098413
1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 95726224
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
1-(6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl)-3-(5-methylpyrazol-1-yl)propan-1-one
CID 78084691
1-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 70764057
3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
CID 95709460
1'-[3-(5-methylpyrazol-1-yl)propanoyl]spiro[2-oxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8,4'-piperidine]-11-one
CID 133070351

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 118773140) is 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is FAISDXCKNFXGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-6-8-21-24(16)9-7-20(25)23-12-10-22(11-13-23)19-14-17-4-2-3-5-18(17)15-19/h2-6,8,19H,7,9-15H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 338.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 118773140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).