6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C14H14N4OS — CID 2945590

IUPAC6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H14N4OS/c1-2-3-10-12-11(8-4-5-20-7-8)9(6-15)13(16)19-14(12)18-17-10/h4-5,7,11H,2-3,16H2,1H3,(H,17,18)
InChIKeyXFJJRPKPJBEGSO-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.64
Rot. Bonds3

About 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2945590) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2945590
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H14N4OS/c1-2-3-10-12-11(8-4-5-20-7-8)9(6-15)13(16)19-14(12)18-17-10/h4-5,7,11H,2-3,16H2,1H3,(H,17,18)
InChIKeyXFJJRPKPJBEGSO-UHFFFAOYSA-N
XLogP2.64
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 914470
(4S)-6-amino-4-(3-methylthiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 708190
6-amino-4-(5-bromothiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156357
6-amino-3-(4-methylphenyl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961967
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212
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
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938
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-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743692
(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1297459

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2945590) is 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is XFJJRPKPJBEGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-3-10-12-11(8-4-5-20-7-8)9(6-15)13(16)19-14(12)18-17-10/h4-5,7,11H,2-3,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2945590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).