[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C25H37N5O — CID 24817322

IUPAC[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)CC1
InChIInChI=1S/C25H37N5O/c1-19(2)16-21-17-24(27(4)26-21)25(31)30-11-7-9-22(18-30)28-12-14-29(15-13-28)23-10-6-5-8-20(23)3/h5-6,8,10,17,19,22H,7,9,11-16,18H2,1-4H3
InChIKeyRLRNLADUMOLTGS-UHFFFAOYSA-N
MW423.61 g/mol
LogP3.35
Rot. Bonds5

About [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24817322) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24817322
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)CC1
InChIInChI=1S/C25H37N5O/c1-19(2)16-21-17-24(27(4)26-21)25(31)30-11-7-9-22(18-30)28-12-14-29(15-13-28)23-10-6-5-8-20(23)3/h5-6,8,10,17,19,22H,7,9,11-16,18H2,1-4H3
InChIKeyRLRNLADUMOLTGS-UHFFFAOYSA-N
XLogP3.35
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24817322) is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is Cc1ccccc1N1CCN(C2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)CC1.
What is the InChIKey of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RLRNLADUMOLTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-19(2)16-21-17-24(27(4)26-21)25(31)30-11-7-9-22(18-30)28-12-14-29(15-13-28)23-10-6-5-8-20(23)3/h5-6,8,10,17,19,22H,7,9,11-16,18H2,1-4H3.
What are the key properties of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 423.61 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24817322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).