3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile

C10H8FN5 — CID 102826149

IUPAC3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(N)nn(-c2cccc(F)c2)c1N
InChIInChI=1S/C10H8FN5/c11-6-2-1-3-7(4-6)16-10(14)8(5-12)9(13)15-16/h1-4H,14H2,(H2,13,15)
InChIKeyWYFLDHLNRTUJOO-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.05
Rot. Bonds1

About 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile

3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 102826149) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID102826149
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(N)nn(-c2cccc(F)c2)c1N
InChIInChI=1S/C10H8FN5/c11-6-2-1-3-7(4-6)16-10(14)8(5-12)9(13)15-16/h1-4H,14H2,(H2,13,15)
InChIKeyWYFLDHLNRTUJOO-UHFFFAOYSA-N
XLogP1.05
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
CID 102825781
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
5-chloro-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 53429290
3,5-diamino-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 102826157
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile (CID 102826149) is 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(N)nn(-c2cccc(F)c2)c1N.
What is the InChIKey of 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is WYFLDHLNRTUJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c11-6-2-1-3-7(4-6)16-10(14)8(5-12)9(13)15-16/h1-4H,14H2,(H2,13,15).
What are the key properties of 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 217.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102826149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).