4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine

C13H24N4 — CID 75506909

IUPAC4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CN(C)CCN1Cc1ccnn1C
InChIInChI=1S/C13H24N4/c1-11(2)13-10-15(3)7-8-17(13)9-12-5-6-14-16(12)4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyOUQWWFLXFIRWGA-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.19
Rot. Bonds3

About 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine

4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 75506909) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID75506909
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CN(C)CCN1Cc1ccnn1C
InChIInChI=1S/C13H24N4/c1-11(2)13-10-15(3)7-8-17(13)9-12-5-6-14-16(12)4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyOUQWWFLXFIRWGA-UHFFFAOYSA-N
XLogP1.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(1-ethyl-1H-pyrazol-5-yl)methanamine
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(1-propyl-1H-pyrazol-5-yl)methanamine
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(1-cyclohexyl-1H-pyrazol-5-yl)methanamine
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1-(Cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396886
1-((1-Methyl-1H-pyrazol-3-yl)methyl)-1,8-diazaspiro[4.5]decane
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CID 43663106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine (CID 75506909) is 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine is CC(C)C1CN(C)CCN1Cc1ccnn1C.
What is the InChIKey of 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is OUQWWFLXFIRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)13-10-15(3)7-8-17(13)9-12-5-6-14-16(12)4/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 75506909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).