3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine

C16H22N4 — CID 82870528

IUPAC3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine
SMILESCn1ccc(CN2CCNC(C)(c3ccccc3)C2)n1
InChIInChI=1S/C16H22N4/c1-16(14-6-4-3-5-7-14)13-20(11-9-17-16)12-15-8-10-19(2)18-15/h3-8,10,17H,9,11-13H2,1-2H3
InChIKeyVRYORLWNEFSMEP-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine

3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine (PubChem CID 82870528) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine
PubChem CID82870528
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine
SMILESCn1ccc(CN2CCNC(C)(c3ccccc3)C2)n1
InChIInChI=1S/C16H22N4/c1-16(14-6-4-3-5-7-14)13-20(11-9-17-16)12-15-8-10-19(2)18-15/h3-8,10,17H,9,11-13H2,1-2H3
InChIKeyVRYORLWNEFSMEP-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine (CID 82870528) is 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine is Cn1ccc(CN2CCNC(C)(c3ccccc3)C2)n1.
What is the InChIKey of 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine?
The InChIKey is VRYORLWNEFSMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(14-6-4-3-5-7-14)13-20(11-9-17-16)12-15-8-10-19(2)18-15/h3-8,10,17H,9,11-13H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine?
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine has a molecular weight of 270.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-phenylpiperazine is sourced from PubChem (CID 82870528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).