5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile

C11H16N4 — CID 799242

IUPAC5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(C2CCCCC2)c(N)c1C#N
InChIInChI=1S/C11H16N4/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h9H,2-6,13H2,1H3
InChIKeyPQBHAEIHNCHJKG-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.15
Rot. Bonds1

About 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile

5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile (PubChem CID 799242) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile
PubChem CID799242
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(C2CCCCC2)c(N)c1C#N
InChIInChI=1S/C11H16N4/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h9H,2-6,13H2,1H3
InChIKeyPQBHAEIHNCHJKG-UHFFFAOYSA-N
XLogP2.15
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile (CID 799242) is 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile is Cc1nn(C2CCCCC2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile?
The InChIKey is PQBHAEIHNCHJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h9H,2-6,13H2,1H3.
What are the key properties of 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile?
5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 799242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).