5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile

C9H14N6 — CID 10058806

IUPAC5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile
SMILESCN1CCN(c2n[nH]c(N)c2C#N)CC1
InChIInChI=1S/C9H14N6/c1-14-2-4-15(5-3-14)9-7(6-10)8(11)12-13-9/h2-5H2,1H3,(H3,11,12,13)
InChIKeyVURWAYBHGPWUBO-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.38
Rot. Bonds1

About 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile

5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 10058806) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile
PubChem CID10058806
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile
SMILESCN1CCN(c2n[nH]c(N)c2C#N)CC1
InChIInChI=1S/C9H14N6/c1-14-2-4-15(5-3-14)9-7(6-10)8(11)12-13-9/h2-5H2,1H3,(H3,11,12,13)
InChIKeyVURWAYBHGPWUBO-UHFFFAOYSA-N
XLogP-0.38
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile (CID 10058806) is 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile is CN1CCN(c2n[nH]c(N)c2C#N)CC1.
What is the InChIKey of 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is VURWAYBHGPWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-2-4-15(5-3-14)9-7(6-10)8(11)12-13-9/h2-5H2,1H3,(H3,11,12,13).
What are the key properties of 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile?
5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10058806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).