6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H13BrN4O — CID 3569451

IUPAC6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccccc1Br
InChIInChI=1S/C19H13BrN4O/c20-14-9-5-4-8-12(14)15-13(10-21)18(22)25-19-16(15)17(23-24-19)11-6-2-1-3-7-11/h1-9,15H,22H2,(H,23,24)
InChIKeyICDYLJGSMFDVTM-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.06
Rot. Bonds2

About 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3569451) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3569451
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccccc1Br
InChIInChI=1S/C19H13BrN4O/c20-14-9-5-4-8-12(14)15-13(10-21)18(22)25-19-16(15)17(23-24-19)11-6-2-1-3-7-11/h1-9,15H,22H2,(H,23,24)
InChIKeyICDYLJGSMFDVTM-UHFFFAOYSA-N
XLogP4.06
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-(2-bromophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 23637325
(4S)-6-amino-4-(2-iodophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044730
6-amino-3-(1,3-benzodioxol-5-yl)-4-(2-bromophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6626236
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1115061
(4S)-6-amino-4-(2-hydroxyphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7831953
(4R)-6-amino-3-(4-phenylphenyl)-4-pyridin-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6547333
(4R)-6-amino-4-(2-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716346
(4S)-6-amino-4-(2,4-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1112102
6-amino-4-[4-(dimethylamino)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3987344
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881667
6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 43819104

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3569451) is 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccccc1Br.
What is the InChIKey of 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ICDYLJGSMFDVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-14-9-5-4-8-12(14)15-13(10-21)18(22)25-19-16(15)17(23-24-19)11-6-2-1-3-7-11/h1-9,15H,22H2,(H,23,24).
What are the key properties of 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 393.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3569451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).