(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C13H12N4OS — CID 914470

IUPAC(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2
InChIInChI=1S/C13H12N4OS/c1-2-9-11-10(7-3-4-19-6-7)8(5-14)12(15)18-13(11)17-16-9/h3-4,6,10H,2,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyQKCKCQDAMDBKOO-JTQLQIEISA-N
MW272.33 g/mol
LogP2.25
Rot. Bonds2

About (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 914470) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID914470
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2
InChIInChI=1S/C13H12N4OS/c1-2-9-11-10(7-3-4-19-6-7)8(5-14)12(15)18-13(11)17-16-9/h3-4,6,10H,2,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyQKCKCQDAMDBKOO-JTQLQIEISA-N
XLogP2.25
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938
6-amino-3-ethyl-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156166
6-amino-3-(4-methylphenyl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961967
6-amino-3-ethyl-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3141758
(4S)-6-amino-4-(4-bromothiophen-2-yl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40552723
6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1297459
(4S)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1297462
(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7307398
(4S)-6-amino-3-ethyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497179
(4R)-6-amino-3-(methoxymethyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 845578

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 914470) is (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is QKCKCQDAMDBKOO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12N4OS/c1-2-9-11-10(7-3-4-19-6-7)8(5-14)12(15)18-13(11)17-16-9/h3-4,6,10H,2,15H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 914470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).