(4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C14H16N4O — CID 949531

IUPAC(4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2
InChIInChI=1S/C14H16N4O/c1-8-11-12(9-5-3-2-4-6-9)10(7-15)13(16)19-14(11)18-17-8/h3,5,9,12H,2,4,6,16H2,1H3,(H,17,18)/t9-,12+/m0/s1
InChIKeyPKNANNBHWJRMEK-JOYOIKCWSA-N
MW256.31 g/mol
LogP2.24
Rot. Bonds1

About (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 949531) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID949531
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2
InChIInChI=1S/C14H16N4O/c1-8-11-12(9-5-3-2-4-6-9)10(7-15)13(16)19-14(11)18-17-8/h3,5,9,12H,2,4,6,16H2,1H3,(H,17,18)/t9-,12+/m0/s1
InChIKeyPKNANNBHWJRMEK-JOYOIKCWSA-N
XLogP2.24
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-amino-4-[(1S)-cyclohex-2-en-1-yl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 931278
ethyl 2-[(4R)-6-amino-5-cyano-4-[(1S)-cyclohex-2-en-1-yl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CID 949126
ethyl 2-[(4S)-6-amino-5-cyano-4-[(1S)-cyclohex-2-en-1-yl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CID 949127
6-amino-4-cyclohex-2-en-1-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3794572
(4S)-2-amino-4-[(1R)-cyclohex-2-en-1-yl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 949078
(4R)-2-amino-4-[(1S)-cyclohex-2-en-1-yl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 7420436
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4S)-6-amino-3-methyl-4-(2,3,5,6-tetramethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6940547
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
6-amino-3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4287209
6-amino-4-(furan-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
(4R)-6-amino-4-[(2R)-butan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 700348

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 949531) is (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is PKNANNBHWJRMEK-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-11-12(9-5-3-2-4-6-9)10(7-15)13(16)19-14(11)18-17-8/h3,5,9,12H,2,4,6,16H2,1H3,(H,17,18)/t9-,12+/m0/s1.
What are the key properties of (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 949531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).