5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile

C11H10ClN5 — CID 102795584

IUPAC5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
SMILESCNc1nn(-c2cccc(Cl)c2)c(N)c1C#N
InChIInChI=1S/C11H10ClN5/c1-15-11-9(6-13)10(14)17(16-11)8-4-2-3-7(12)5-8/h2-5H,14H2,1H3,(H,15,16)
InChIKeyMUKUWZOBWRLAQK-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.02
Rot. Bonds2

About 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile

5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile (PubChem CID 102795584) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
PubChem CID102795584
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
SMILESCNc1nn(-c2cccc(Cl)c2)c(N)c1C#N
InChIInChI=1S/C11H10ClN5/c1-15-11-9(6-13)10(14)17(16-11)8-4-2-3-7(12)5-8/h2-5H,14H2,1H3,(H,15,16)
InChIKeyMUKUWZOBWRLAQK-UHFFFAOYSA-N
XLogP2.02
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(methylamino)-1-(3-nitrophenyl)pyrazole-4-carbonitrile
CID 102795667
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310045
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
CID 102795914
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile (CID 102795584) is 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile is CNc1nn(-c2cccc(Cl)c2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile?
The InChIKey is MUKUWZOBWRLAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-15-11-9(6-13)10(14)17(16-11)8-4-2-3-7(12)5-8/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile?
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile has a molecular weight of 247.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).