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

C10H18N4 — CID 7022274

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)cc1CN1CCNCC1
InChIInChI=1S/C10H18N4/c1-9-10(7-13(2)12-9)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3
InChIKeyDAGWFQZOVZCPGT-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.13
Rot. Bonds2

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

1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 7022274) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID7022274
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)cc1CN1CCNCC1
InChIInChI=1S/C10H18N4/c1-9-10(7-13(2)12-9)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3
InChIKeyDAGWFQZOVZCPGT-UHFFFAOYSA-N
XLogP0.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine (CID 7022274) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)cc1CN1CCNCC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is DAGWFQZOVZCPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-10(7-13(2)12-9)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 7022274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).