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

C19H18N4O — CID 716966

IUPAC(4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1[C@@H]1CC=CCC1
InChIInChI=1S/C19H18N4O/c20-11-14-15(12-7-3-1-4-8-12)16-17(13-9-5-2-6-10-13)22-23-19(16)24-18(14)21/h1-3,5-6,9-10,12,15H,4,7-8,21H2,(H,22,23)/t12-,15-/m1/s1
InChIKeyMCVNJOHMZSRDEC-IUODEOHRSA-N
MW318.38 g/mol
LogP3.60
Rot. Bonds2

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

(4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 716966) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID716966
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1[C@@H]1CC=CCC1
InChIInChI=1S/C19H18N4O/c20-11-14-15(12-7-3-1-4-8-12)16-17(13-9-5-2-6-10-13)22-23-19(16)24-18(14)21/h1-3,5-6,9-10,12,15H,4,7-8,21H2,(H,22,23)/t12-,15-/m1/s1
InChIKeyMCVNJOHMZSRDEC-IUODEOHRSA-N
XLogP3.60
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6-amino-4-cyclohexyl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716985
(4S)-6-amino-4-(2-iodophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044730
(4S)-6-amino-3-phenyl-4-(2-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 878456
6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881667
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
(4R)-6-amino-3-(4-phenylphenyl)-4-pyridin-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6547333
(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 764926
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1115061
6-amino-4-[4-(dimethylamino)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3987344
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881395
(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 948950

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 716966) is (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1[C@@H]1CC=CCC1.
What is the InChIKey of (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is MCVNJOHMZSRDEC-IUODEOHRSA-N. The full InChI is InChI=1S/C19H18N4O/c20-11-14-15(12-7-3-1-4-8-12)16-17(13-9-5-2-6-10-13)22-23-19(16)24-18(14)21/h1-3,5-6,9-10,12,15H,4,7-8,21H2,(H,22,23)/t12-,15-/m1/s1.
What are the key properties of (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 716966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).