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

C13H13Cl2N5 — CID 102795388

IUPAC5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1C#N
InChIInChI=1S/C13H13Cl2N5/c1-2-5-18-13-9(7-16)12(17)20(19-13)8-3-4-10(14)11(15)6-8/h3-4,6H,2,5,17H2,1H3,(H,18,19)
InChIKeyRKCNZABFWPPVRE-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.45
Rot. Bonds4

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

5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile (PubChem CID 102795388) has the molecular formula C13H13Cl2N5 and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
PubChem CID102795388
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1C#N
InChIInChI=1S/C13H13Cl2N5/c1-2-5-18-13-9(7-16)12(17)20(19-13)8-3-4-10(14)11(15)6-8/h3-4,6H,2,5,17H2,1H3,(H,18,19)
InChIKeyRKCNZABFWPPVRE-UHFFFAOYSA-N
XLogP3.45
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(propylamino)-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 102796744
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
5-amino-1-(3,4-dichlorophenyl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102795386
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
5-amino-1-[(4-bromophenyl)methyl]-3-(propylamino)pyrazole-4-carbonitrile
CID 102796555
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-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795345
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877
1-(4-chlorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102825456

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile (CID 102795388) is 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile is CCCNc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile?
The InChIKey is RKCNZABFWPPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c1-2-5-18-13-9(7-16)12(17)20(19-13)8-3-4-10(14)11(15)6-8/h3-4,6H,2,5,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile?
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile has a molecular weight of 310.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).