1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine

C15H21N5 — CID 117431613

IUPAC1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
SMILESCN1CCN(c2ccccc2-c2cnn(C)c2N)CC1
InChIInChI=1S/C15H21N5/c1-18-7-9-20(10-8-18)14-6-4-3-5-12(14)13-11-17-19(2)15(13)16/h3-6,11H,7-10,16H2,1-2H3
InChIKeyXJMUPAHYCMOSPQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.42
Rot. Bonds2

About 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine

1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine (PubChem CID 117431613) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
PubChem CID117431613
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
SMILESCN1CCN(c2ccccc2-c2cnn(C)c2N)CC1
InChIInChI=1S/C15H21N5/c1-18-7-9-20(10-8-18)14-6-4-3-5-12(14)13-11-17-19(2)15(13)16/h3-6,11H,7-10,16H2,1-2H3
InChIKeyXJMUPAHYCMOSPQ-UHFFFAOYSA-N
XLogP1.42
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine (CID 117431613) is 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine is CN1CCN(c2ccccc2-c2cnn(C)c2N)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine?
The InChIKey is XJMUPAHYCMOSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-18-7-9-20(10-8-18)14-6-4-3-5-12(14)13-11-17-19(2)15(13)16/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine?
1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine has a molecular weight of 271.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117431613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).