1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C24H32N5O+ — CID 58670158

IUPAC1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCc1[nH][n+](C2CCCC2)c2cc(-c3ccnn3C3CCN(C(C)=O)CC3)ccc12
InChIInChI=1S/C24H31N5O/c1-3-22-21-9-8-18(16-24(21)29(26-22)19-6-4-5-7-19)23-10-13-25-28(23)20-11-14-27(15-12-20)17(2)30/h8-10,13,16,19-20H,3-7,11-12,14-15H2,1-2H3/p+1
InChIKeyUCHCVTQHUZYXPG-UHFFFAOYSA-O
MW406.55 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 58670158) has the molecular formula C24H32N5O+ and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID58670158
Molecular FormulaC24H32N5O+
Molecular Weight406.55 g/mol
Exact Mass406.26
IUPAC Name1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCc1[nH][n+](C2CCCC2)c2cc(-c3ccnn3C3CCN(C(C)=O)CC3)ccc12
InChIInChI=1S/C24H31N5O/c1-3-22-21-9-8-18(16-24(21)29(26-22)19-6-4-5-7-19)23-10-13-25-28(23)20-11-14-27(15-12-20)17(2)30/h8-10,13,16,19-20H,3-7,11-12,14-15H2,1-2H3/p+1
InChIKeyUCHCVTQHUZYXPG-UHFFFAOYSA-O
XLogP4.18
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 22933424
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one
CID 118959907
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
CID 118960252
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
CID 118960270
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052080
1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052116

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 58670158) is 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CCc1[nH][n+](C2CCCC2)c2cc(-c3ccnn3C3CCN(C(C)=O)CC3)ccc12.
What is the InChIKey of 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UCHCVTQHUZYXPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N5O/c1-3-22-21-9-8-18(16-24(21)29(26-22)19-6-4-5-7-19)23-10-13-25-28(23)20-11-14-27(15-12-20)17(2)30/h8-10,13,16,19-20H,3-7,11-12,14-15H2,1-2H3/p+1.
What are the key properties of 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 406.55 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58670158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).