3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine

C8H15N5 — CID 45099798

IUPAC3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine
SMILESCN1CCN(c2cc(N)[nH]n2)CC1
InChIInChI=1S/C8H15N5/c1-12-2-4-13(5-3-12)8-6-7(9)10-11-8/h6H,2-5H2,1H3,(H3,9,10,11)
InChIKeyBAUIMKSJWJHSBP-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.26
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine

3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine (PubChem CID 45099798) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine
PubChem CID45099798
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine
SMILESCN1CCN(c2cc(N)[nH]n2)CC1
InChIInChI=1S/C8H15N5/c1-12-2-4-13(5-3-12)8-6-7(9)10-11-8/h6H,2-5H2,1H3,(H3,9,10,11)
InChIKeyBAUIMKSJWJHSBP-UHFFFAOYSA-N
XLogP-0.26
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine (CID 45099798) is 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine is CN1CCN(c2cc(N)[nH]n2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine?
The InChIKey is BAUIMKSJWJHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-12-2-4-13(5-3-12)8-6-7(9)10-11-8/h6H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine?
3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine has a molecular weight of 181.24 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 45099798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).