5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile

C15H19N5 — CID 102795681

IUPAC5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(-c2cc(C)ccc2C)c(N)c1C#N
InChIInChI=1S/C15H19N5/c1-4-7-18-15-12(9-16)14(17)20(19-15)13-8-10(2)5-6-11(13)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19)
InChIKeyOOXSNYCZAQRJLP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.76
Rot. Bonds4

About 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile

5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile (PubChem CID 102795681) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
PubChem CID102795681
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(-c2cc(C)ccc2C)c(N)c1C#N
InChIInChI=1S/C15H19N5/c1-4-7-18-15-12(9-16)14(17)20(19-15)13-8-10(2)5-6-11(13)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19)
InChIKeyOOXSNYCZAQRJLP-UHFFFAOYSA-N
XLogP2.76
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
5-amino-3-(propylamino)-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 102796744
5-amino-1-(4-bromo-2-methylphenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796849
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795345
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102808420
5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795895
1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39246638
5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796194
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
5-amino-3-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)pyrazole-4-carbonitrile
CID 22309901
5-amino-1-[(4-bromophenyl)methyl]-3-(propylamino)pyrazole-4-carbonitrile
CID 102796555

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile (CID 102795681) is 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile is CCCNc1nn(-c2cc(C)ccc2C)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile?
The InChIKey is OOXSNYCZAQRJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-7-18-15-12(9-16)14(17)20(19-15)13-8-10(2)5-6-11(13)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile?
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).