5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile

C15H19N5 — CID 102795550

IUPAC5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
SMILESCCN(CC)c1nn(-c2ccccc2C)c(N)c1C#N
InChIInChI=1S/C15H19N5/c1-4-19(5-2)15-12(10-16)14(17)20(18-15)13-9-7-6-8-11(13)3/h6-9H,4-5,17H2,1-3H3
InChIKeyINGFWGJHTMLPPX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds4

About 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile

5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 102795550) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
PubChem CID102795550
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
SMILESCCN(CC)c1nn(-c2ccccc2C)c(N)c1C#N
InChIInChI=1S/C15H19N5/c1-4-19(5-2)15-12(10-16)14(17)20(18-15)13-9-7-6-8-11(13)3/h6-9H,4-5,17H2,1-3H3
InChIKeyINGFWGJHTMLPPX-UHFFFAOYSA-N
XLogP2.48
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile (CID 102795550) is 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile is CCN(CC)c1nn(-c2ccccc2C)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is INGFWGJHTMLPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-19(5-2)15-12(10-16)14(17)20(18-15)13-9-7-6-8-11(13)3/h6-9H,4-5,17H2,1-3H3.
What are the key properties of 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile?
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).