[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C24H32N6O — CID 92579221

IUPAC[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)n(C)n1
InChIInChI=1S/C24H32N6O/c1-18(2)16-20-17-21(28(4)26-20)24(31)30-14-12-29(13-15-30)22(19-8-6-5-7-9-19)23-25-10-11-27(23)3/h5-11,17-18,22H,12-16H2,1-4H3/t22-/m0/s1
InChIKeyQRCNFBIJDNDTLD-QFIPXVFZSA-N
MW420.56 g/mol
LogP2.90
Rot. Bonds6

About [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 92579221) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID92579221
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)n(C)n1
InChIInChI=1S/C24H32N6O/c1-18(2)16-20-17-21(28(4)26-20)24(31)30-14-12-29(13-15-30)22(19-8-6-5-7-9-19)23-25-10-11-27(23)3/h5-11,17-18,22H,12-16H2,1-4H3/t22-/m0/s1
InChIKeyQRCNFBIJDNDTLD-QFIPXVFZSA-N
XLogP2.90
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46972601
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
CID 46972171
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92564932
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92589472
(2S)-2-(3-fluorophenoxy)-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92551286
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-tert-butyl-1-methylpyrazol-5-yl)methanone
CID 92771291
(4R)-5,5-dimethyl-4-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazine-1-carbonyl]oxolan-2-one
CID 92582921
(2R)-2-(2-fluorophenoxy)-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92551289
2-(2-fluorophenoxy)-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46957886
1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 46970334

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 92579221) is [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)n(C)n1.
What is the InChIKey of [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is QRCNFBIJDNDTLD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N6O/c1-18(2)16-20-17-21(28(4)26-20)24(31)30-14-12-29(13-15-30)22(19-8-6-5-7-9-19)23-25-10-11-27(23)3/h5-11,17-18,22H,12-16H2,1-4H3/t22-/m0/s1.
What are the key properties of [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 92579221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).