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

C16H22N4 — CID 17024750

IUPAC1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCNCC1
InChIInChI=1S/C16H22N4/c1-13-16(12-19-10-8-17-9-11-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3
InChIKeyXFMSMEUOOYXMCK-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.89
Rot. Bonds3

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

1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 17024750) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID17024750
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCNCC1
InChIInChI=1S/C16H22N4/c1-13-16(12-19-10-8-17-9-11-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3
InChIKeyXFMSMEUOOYXMCK-UHFFFAOYSA-N
XLogP1.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine (CID 17024750) is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine is Cc1nn(-c2ccccc2)c(C)c1CN1CCNCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is XFMSMEUOOYXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-16(12-19-10-8-17-9-11-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine?
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 17024750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).