1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine

C20H34N4 — CID 45215910

IUPAC1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine
SMILESCN1CCC(C2CCN(Cc3cn[nH]c3C3CCCCC3)CC2)C1
InChIInChI=1S/C20H34N4/c1-23-10-7-18(14-23)16-8-11-24(12-9-16)15-19-13-21-22-20(19)17-5-3-2-4-6-17/h13,16-18H,2-12,14-15H2,1H3,(H,21,22)
InChIKeyBHFXDGKCVAMRBP-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.62
Rot. Bonds4

About 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine

1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine (PubChem CID 45215910) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine
PubChem CID45215910
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine
SMILESCN1CCC(C2CCN(Cc3cn[nH]c3C3CCCCC3)CC2)C1
InChIInChI=1S/C20H34N4/c1-23-10-7-18(14-23)16-8-11-24(12-9-16)15-19-13-21-22-20(19)17-5-3-2-4-6-17/h13,16-18H,2-12,14-15H2,1H3,(H,21,22)
InChIKeyBHFXDGKCVAMRBP-UHFFFAOYSA-N
XLogP3.62
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine?
The IUPAC name of 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine (CID 45215910) is 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine is CN1CCC(C2CCN(Cc3cn[nH]c3C3CCCCC3)CC2)C1.
What is the InChIKey of 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine?
The InChIKey is BHFXDGKCVAMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-23-10-7-18(14-23)16-8-11-24(12-9-16)15-19-13-21-22-20(19)17-5-3-2-4-6-17/h13,16-18H,2-12,14-15H2,1H3,(H,21,22).
What are the key properties of 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine?
1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine has a molecular weight of 330.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 45215910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).