1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine

C12H22N4 — CID 82509495

IUPAC1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C(C)C)cc1CN1CCNCC1
InChIInChI=1S/C12H22N4/c1-10(2)16-9-12(11(3)14-16)8-15-6-4-13-5-7-15/h9-10,13H,4-8H2,1-3H3
InChIKeyGWMUEKLGPPJGOZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.18
Rot. Bonds3

About 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine

1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine (PubChem CID 82509495) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
PubChem CID82509495
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C(C)C)cc1CN1CCNCC1
InChIInChI=1S/C12H22N4/c1-10(2)16-9-12(11(3)14-16)8-15-6-4-13-5-7-15/h9-10,13H,4-8H2,1-3H3
InChIKeyGWMUEKLGPPJGOZ-UHFFFAOYSA-N
XLogP1.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 66022281
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 83890851
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120846935
1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 120841022
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 120844424
N-methyl-1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120838430
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
(5S,7S)-7-methyl-9-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 124741907
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
CID 82510622

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine (CID 82509495) is 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine is Cc1nn(C(C)C)cc1CN1CCNCC1.
What is the InChIKey of 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
The InChIKey is GWMUEKLGPPJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-9-12(11(3)14-16)8-15-6-4-13-5-7-15/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine?
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 82509495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).