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

C12H21ClN4 — CID 65463380

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
SMILESCc1nn(C)c(Cl)c1CN1CCNCC1(C)C
InChIInChI=1S/C12H21ClN4/c1-9-10(11(13)16(4)15-9)7-17-6-5-14-8-12(17,2)3/h14H,5-8H2,1-4H3
InChIKeyNAGBVJORWFONBI-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.57
Rot. Bonds2

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine (PubChem CID 65463380) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
PubChem CID65463380
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
SMILESCc1nn(C)c(Cl)c1CN1CCNCC1(C)C
InChIInChI=1S/C12H21ClN4/c1-9-10(11(13)16(4)15-9)7-17-6-5-14-8-12(17,2)3/h14H,5-8H2,1-4H3
InChIKeyNAGBVJORWFONBI-UHFFFAOYSA-N
XLogP1.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine (CID 65463380) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine is Cc1nn(C)c(Cl)c1CN1CCNCC1(C)C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine?
The InChIKey is NAGBVJORWFONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-9-10(11(13)16(4)15-9)7-17-6-5-14-8-12(17,2)3/h14H,5-8H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine has a molecular weight of 256.78 g/mol, XLogP of 1.57, 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]-2,2-dimethylpiperazine is sourced from PubChem (CID 65463380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).