5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C9H10N6 — CID 63758220

IUPAC5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2cc(N)cn2)c1C#N
InChIInChI=1S/C9H10N6/c1-6-8(3-10)9(14(2)13-6)15-5-7(11)4-12-15/h4-5H,11H2,1-2H3
InChIKeyMDYBSPGPLZENPM-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.37
Rot. Bonds1

About 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63758220) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63758220
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2cc(N)cn2)c1C#N
InChIInChI=1S/C9H10N6/c1-6-8(3-10)9(14(2)13-6)15-5-7(11)4-12-15/h4-5H,11H2,1-2H3
InChIKeyMDYBSPGPLZENPM-UHFFFAOYSA-N
XLogP0.37
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 63758220) is 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(-n2cc(N)cn2)c1C#N.
What is the InChIKey of 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is MDYBSPGPLZENPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-6-8(3-10)9(14(2)13-6)15-5-7(11)4-12-15/h4-5H,11H2,1-2H3.
What are the key properties of 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 202.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63758220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).