5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile

C8H13N5 — CID 16788121

IUPAC5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile
SMILESCCN(CC)c1n[nH]c(N)c1C#N
InChIInChI=1S/C8H13N5/c1-3-13(4-2)8-6(5-9)7(10)11-12-8/h3-4H2,1-2H3,(H3,10,11,12)
InChIKeyAHSPKFHQMQJUPY-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.71
Rot. Bonds3

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

5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile (PubChem CID 16788121) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile
PubChem CID16788121
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile
SMILESCCN(CC)c1n[nH]c(N)c1C#N
InChIInChI=1S/C8H13N5/c1-3-13(4-2)8-6(5-9)7(10)11-12-8/h3-4H2,1-2H3,(H3,10,11,12)
InChIKeyAHSPKFHQMQJUPY-UHFFFAOYSA-N
XLogP0.71
TPSA81.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile (CID 16788121) is 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile is CCN(CC)c1n[nH]c(N)c1C#N.
What is the InChIKey of 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile?
The InChIKey is AHSPKFHQMQJUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-3-13(4-2)8-6(5-9)7(10)11-12-8/h3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 179.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 16788121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).