5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile

C14H24N4 — CID 63751803

IUPAC5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCCCN(CCCC)c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H24N4/c1-5-7-9-18(10-8-6-2)14-13(11-15)12(3)16-17(14)4/h5-10H2,1-4H3
InChIKeyCNKHEBXCNPBUOS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds7

About 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile

5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63751803) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63751803
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCCCN(CCCC)c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H24N4/c1-5-7-9-18(10-8-6-2)14-13(11-15)12(3)16-17(14)4/h5-10H2,1-4H3
InChIKeyCNKHEBXCNPBUOS-UHFFFAOYSA-N
XLogP3.01
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile (CID 63751803) is 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile is CCCCN(CCCC)c1c(C#N)c(C)nn1C.
What is the InChIKey of 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is CNKHEBXCNPBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-7-9-18(10-8-6-2)14-13(11-15)12(3)16-17(14)4/h5-10H2,1-4H3.
What are the key properties of 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile?
5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63751803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).