[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine

C11H21N5 — CID 28964950

IUPAC[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCN(C)CC2)c1CN
InChIInChI=1S/C11H21N5/c1-9-10(8-12)11(15(3)13-9)16-6-4-14(2)5-7-16/h4-8,12H2,1-3H3
InChIKeyWFAYCINIDZRTGO-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.06
Rot. Bonds2

About [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine (PubChem CID 28964950) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine
PubChem CID28964950
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCN(C)CC2)c1CN
InChIInChI=1S/C11H21N5/c1-9-10(8-12)11(15(3)13-9)16-6-4-14(2)5-7-16/h4-8,12H2,1-3H3
InChIKeyWFAYCINIDZRTGO-UHFFFAOYSA-N
XLogP-0.06
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine (CID 28964950) is [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine is Cc1nn(C)c(N2CCN(C)CC2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine?
The InChIKey is WFAYCINIDZRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9-10(8-12)11(15(3)13-9)16-6-4-14(2)5-7-16/h4-8,12H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 28964950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).