2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine

C16H23N5 — CID 91843194

IUPAC2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine
SMILESCc1nccc(C2CCN(CCCn3cccn3)CC2)n1
InChIInChI=1S/C16H23N5/c1-14-17-8-4-16(19-14)15-5-12-20(13-6-15)9-3-11-21-10-2-7-18-21/h2,4,7-8,10,15H,3,5-6,9,11-13H2,1H3
InChIKeyILHKORKNIOQBJC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.25
Rot. Bonds5

About 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine

2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine (PubChem CID 91843194) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine
PubChem CID91843194
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine
SMILESCc1nccc(C2CCN(CCCn3cccn3)CC2)n1
InChIInChI=1S/C16H23N5/c1-14-17-8-4-16(19-14)15-5-12-20(13-6-15)9-3-11-21-10-2-7-18-21/h2,4,7-8,10,15H,3,5-6,9,11-13H2,1H3
InChIKeyILHKORKNIOQBJC-UHFFFAOYSA-N
XLogP2.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
(6S)-2,6-dimethyl-8-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]octan-2-ol
CID 99962057
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
CID 91829068
4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]benzoic acid
CID 74231502
1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 31134485
4-(2-methylpyrimidin-4-yl)cyclohexan-1-ol
CID 139330455
2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
CID 124755852
6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910977
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline
CID 146585391
4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine
CID 56550628
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine (CID 91843194) is 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine is Cc1nccc(C2CCN(CCCn3cccn3)CC2)n1.
What is the InChIKey of 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine?
The InChIKey is ILHKORKNIOQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-14-17-8-4-16(19-14)15-5-12-20(13-6-15)9-3-11-21-10-2-7-18-21/h2,4,7-8,10,15H,3,5-6,9,11-13H2,1H3.
What are the key properties of 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine?
2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 91843194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).