4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine

C23H29N5 — CID 56758901

IUPAC4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H29N5/c1-17(2)23-24-11-8-21(26-23)16-28-12-9-19(10-13-28)22-20(15-25-27-22)14-18-6-4-3-5-7-18/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3,(H,25,27)
InChIKeyUUXAIYGNTJCRPL-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.29
Rot. Bonds6

About 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine

4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine (PubChem CID 56758901) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
PubChem CID56758901
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H29N5/c1-17(2)23-24-11-8-21(26-23)16-28-12-9-19(10-13-28)22-20(15-25-27-22)14-18-6-4-3-5-7-18/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3,(H,25,27)
InChIKeyUUXAIYGNTJCRPL-UHFFFAOYSA-N
XLogP4.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine 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 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine (CID 56758901) is 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The InChIKey is UUXAIYGNTJCRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-17(2)23-24-11-8-21(26-23)16-28-12-9-19(10-13-28)22-20(15-25-27-22)14-18-6-4-3-5-7-18/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3,(H,25,27).
What are the key properties of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine has a molecular weight of 375.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 56758901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).