1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine

C11H19ClN4 — CID 28964290

IUPAC1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine
SMILESCc1nn(C)c(N2CCN(C)CC2)c1CCl
InChIInChI=1S/C11H19ClN4/c1-9-10(8-12)11(15(3)13-9)16-6-4-14(2)5-7-16/h4-8H2,1-3H3
InChIKeyKXNRQUGLCFADMH-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.22
Rot. Bonds2

About 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine

1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine (PubChem CID 28964290) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine
PubChem CID28964290
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine
SMILESCc1nn(C)c(N2CCN(C)CC2)c1CCl
InChIInChI=1S/C11H19ClN4/c1-9-10(8-12)11(15(3)13-9)16-6-4-14(2)5-7-16/h4-8H2,1-3H3
InChIKeyKXNRQUGLCFADMH-UHFFFAOYSA-N
XLogP1.22
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
CID 63783708
4-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-ethyl-1-methylpiperazine
CID 55215231
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-3-methoxypiperidine
CID 102965865
5-(azetidin-1-yl)-4-(bromomethyl)-1,3-dimethylpyrazole
CID 130547741
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170
[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
CID 28963502
2-[4-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]pyrimidine
CID 107079291
1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43585515
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889323
[5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-yl]methanol
CID 61445720
4-(chloromethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
CID 61034646

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine?
The IUPAC name of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine (CID 28964290) is 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine is Cc1nn(C)c(N2CCN(C)CC2)c1CCl.
What is the InChIKey of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine?
The InChIKey is KXNRQUGLCFADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-9-10(8-12)11(15(3)13-9)16-6-4-14(2)5-7-16/h4-8H2,1-3H3.
What are the key properties of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine?
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine has a molecular weight of 242.75 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine is sourced from PubChem (CID 28964290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).