1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine

C14H25ClN4 — CID 55117785

IUPAC1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCCC(C)N1CCN(Cc2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C14H25ClN4/c1-5-11(2)19-8-6-18(7-9-19)10-13-12(3)16-17(4)14(13)15/h11H,5-10H2,1-4H3
InChIKeyYMTBQNSSLYDYTC-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.30
Rot. Bonds4

About 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine

1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 55117785) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID55117785
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC Name1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCCC(C)N1CCN(Cc2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C14H25ClN4/c1-5-11(2)19-8-6-18(7-9-19)10-13-12(3)16-17(4)14(13)15/h11H,5-10H2,1-4H3
InChIKeyYMTBQNSSLYDYTC-UHFFFAOYSA-N
XLogP2.30
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine 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-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine (CID 55117785) is 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine is CCC(C)N1CCN(Cc2c(C)nn(C)c2Cl)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is YMTBQNSSLYDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-11(2)19-8-6-18(7-9-19)10-13-12(3)16-17(4)14(13)15/h11H,5-10H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 284.83 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 55117785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).