5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile

C13H12FN5 — CID 102796273

IUPAC5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2CC2)nn(-c2cccc(F)c2)c1N
InChIInChI=1S/C13H12FN5/c14-8-2-1-3-10(6-8)19-12(16)11(7-15)13(18-19)17-9-4-5-9/h1-3,6,9H,4-5,16H2,(H,17,18)
InChIKeyOEYMXHHWCOREHR-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.04
Rot. Bonds3

About 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile

5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 102796273) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID102796273
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2CC2)nn(-c2cccc(F)c2)c1N
InChIInChI=1S/C13H12FN5/c14-8-2-1-3-10(6-8)19-12(16)11(7-15)13(18-19)17-9-4-5-9/h1-3,6,9H,4-5,16H2,(H,17,18)
InChIKeyOEYMXHHWCOREHR-UHFFFAOYSA-N
XLogP2.04
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
CID 102795914
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
CID 102796647
5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
5-amino-3-(4-bromophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 129248129
5-amino-1-(3-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102795874
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile (CID 102796273) is 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(NC2CC2)nn(-c2cccc(F)c2)c1N.
What is the InChIKey of 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is OEYMXHHWCOREHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c14-8-2-1-3-10(6-8)19-12(16)11(7-15)13(18-19)17-9-4-5-9/h1-3,6,9H,4-5,16H2,(H,17,18).
What are the key properties of 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).