4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine

C13H23ClN4 — CID 63609341

IUPAC4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
SMILESCCC1CN(Cc2c(C)nn(C)c2Cl)CCN1C
InChIInChI=1S/C13H23ClN4/c1-5-11-8-18(7-6-16(11)3)9-12-10(2)15-17(4)13(12)14/h11H,5-9H2,1-4H3
InChIKeyWHKPKLLAQRKSJI-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.91
Rot. Bonds3

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

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine (PubChem CID 63609341) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
PubChem CID63609341
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
SMILESCCC1CN(Cc2c(C)nn(C)c2Cl)CCN1C
InChIInChI=1S/C13H23ClN4/c1-5-11-8-18(7-6-16(11)3)9-12-10(2)15-17(4)13(12)14/h11H,5-9H2,1-4H3
InChIKeyWHKPKLLAQRKSJI-UHFFFAOYSA-N
XLogP1.91
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
CID 60795842
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
4-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-ethyl-1-methylpiperazine
CID 55215231
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961330
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine (CID 63609341) is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine is CCC1CN(Cc2c(C)nn(C)c2Cl)CCN1C.
What is the InChIKey of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine?
The InChIKey is WHKPKLLAQRKSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-5-11-8-18(7-6-16(11)3)9-12-10(2)15-17(4)13(12)14/h11H,5-9H2,1-4H3.
What are the key properties of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine?
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine has a molecular weight of 270.81 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 63609341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).