2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine

C17H25N7 — CID 126894005

IUPAC2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
SMILESCn1nccc1CCN1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H25N7/c1-21-15(3-7-20-21)4-8-22-13-16(14-22)23-9-11-24(12-10-23)17-18-5-2-6-19-17/h2-3,5-7,16H,4,8-14H2,1H3
InChIKeyKJYLZUYWXXATLF-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.26
Rot. Bonds5

About 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine

2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine (PubChem CID 126894005) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
PubChem CID126894005
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
SMILESCn1nccc1CCN1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H25N7/c1-21-15(3-7-20-21)4-8-22-13-16(14-22)23-9-11-24(12-10-23)17-18-5-2-6-19-17/h2-3,5-7,16H,4,8-14H2,1H3
InChIKeyKJYLZUYWXXATLF-UHFFFAOYSA-N
XLogP0.26
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-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-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol
CID 126894080
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
2-[2-(2-methylpyrazol-3-yl)ethyl]-5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931844
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine (CID 126894005) is 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine is Cn1nccc1CCN1CC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine?
The InChIKey is KJYLZUYWXXATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-21-15(3-7-20-21)4-8-22-13-16(14-22)23-9-11-24(12-10-23)17-18-5-2-6-19-17/h2-3,5-7,16H,4,8-14H2,1H3.
What are the key properties of 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine?
2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine has a molecular weight of 327.44 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 126894005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).