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

C10H17ClN4 — CID 43162347

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(Cl)c1CN1CCNCC1
InChIInChI=1S/C10H17ClN4/c1-8-9(10(11)14(2)13-8)7-15-5-3-12-4-6-15/h12H,3-7H2,1-2H3
InChIKeyKWETZHGPBHJYFL-UHFFFAOYSA-N
MW228.73 g/mol
LogP0.79
Rot. Bonds2

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 43162347) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID43162347
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(Cl)c1CN1CCNCC1
InChIInChI=1S/C10H17ClN4/c1-8-9(10(11)14(2)13-8)7-15-5-3-12-4-6-15/h12H,3-7H2,1-2H3
InChIKeyKWETZHGPBHJYFL-UHFFFAOYSA-N
XLogP0.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(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

Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 172514454
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
CID 65463380
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100601
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine (CID 43162347) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)c(Cl)c1CN1CCNCC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is KWETZHGPBHJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8-9(10(11)14(2)13-8)7-15-5-3-12-4-6-15/h12H,3-7H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 228.73 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 43162347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).