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

C11H20N4 — CID 6485353

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCNCC1
InChIInChI=1S/C11H20N4/c1-9-11(10(2)14(3)13-9)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3
InChIKeySNHLSCHBRJBXFN-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.44
Rot. Bonds2

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

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 6485353) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
PubChem CID6485353
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCNCC1
InChIInChI=1S/C11H20N4/c1-9-11(10(2)14(3)13-9)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3
InChIKeySNHLSCHBRJBXFN-UHFFFAOYSA-N
XLogP0.44
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238
1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine
CID 97405042
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468
N-methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine
CID 579620

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (CID 6485353) is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)c(C)c1CN1CCNCC1.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is SNHLSCHBRJBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-11(10(2)14(3)13-9)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 6485353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).