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

C17H15F3N4O — CID 743692

IUPAC(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2
InChIInChI=1S/C17H15F3N4O/c1-2-5-12-14-13(9-6-3-4-7-11(9)17(18,19)20)10(8-21)15(22)25-16(14)24-23-12/h3-4,6-7,13H,2,5,22H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyWLOYJNODLQBYRT-CYBMUJFWSA-N
MW348.33 g/mol
LogP3.60
Rot. Bonds3

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

(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 743692) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID743692
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2
InChIInChI=1S/C17H15F3N4O/c1-2-5-12-14-13(9-6-3-4-7-11(9)17(18,19)20)10(8-21)15(22)25-16(14)24-23-12/h3-4,6-7,13H,2,5,22H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyWLOYJNODLQBYRT-CYBMUJFWSA-N
XLogP3.60
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

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Related Compounds

6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869
(4S)-6-amino-4-(2-nitrophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743726
6-amino-3-propyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946763
6-amino-4-(furan-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3126434
(4S)-6-amino-4-(2-ethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 710347
(4R)-6-amino-3-propyl-4-(2,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1003403
(4S)-6-amino-3-ethyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497179
6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 644636
6-amino-3-(3,4-dichlorophenyl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4074374
(4S)-6-amino-4-(3-methylthiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 708190
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 743692) is (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is WLOYJNODLQBYRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-2-5-12-14-13(9-6-3-4-7-11(9)17(18,19)20)10(8-21)15(22)25-16(14)24-23-12/h3-4,6-7,13H,2,5,22H2,1H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 348.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 743692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).