(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C14H14N4O2 — CID 40608116

IUPAC(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H14N4O2/c1-7(2)12-11-10(8-3-4-19-6-8)9(5-15)13(16)20-14(11)18-17-12/h3-4,6-7,10H,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyOCKMQLLTMRKAQJ-SNVBAGLBSA-N
MW270.29 g/mol
LogP2.34
Rot. Bonds2

About (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 40608116) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID40608116
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H14N4O2/c1-7(2)12-11-10(8-3-4-19-6-8)9(5-15)13(16)20-14(11)18-17-12/h3-4,6-7,10H,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyOCKMQLLTMRKAQJ-SNVBAGLBSA-N
XLogP2.34
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-amino-4-(furan-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
6-amino-3-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4620955
(4S)-6-amino-4-(4-nitrophenyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672885
(4R)-6-amino-3-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086198
(4S)-6-amino-4-(furan-3-yl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 975032
(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1203478
6-amino-4-(2,3-dimethoxyphenyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3353568
[4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2,6-dimethoxyphenyl] acetate
CID 4081281
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
6-amino-3-tert-butyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155429
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

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 40608116) is (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)c1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is OCKMQLLTMRKAQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7(2)12-11-10(8-3-4-19-6-8)9(5-15)13(16)20-14(11)18-17-12/h3-4,6-7,10H,16H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 40608116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).