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

C18H20N4O — CID 764926

IUPAC(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCC(CC)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C18H20N4O/c1-3-11(4-2)14-13(10-19)17(20)23-18-15(14)16(21-22-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,20H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyIPVCPNKDNPVCAK-CQSZACIVSA-N
MW308.38 g/mol
LogP3.68
Rot. Bonds4

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

(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 764926) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID764926
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCC(CC)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C18H20N4O/c1-3-11(4-2)14-13(10-19)17(20)23-18-15(14)16(21-22-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,20H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyIPVCPNKDNPVCAK-CQSZACIVSA-N
XLogP3.68
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881395
6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881667
6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5156810
(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-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-cyclohexyl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716985
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-3-(4-ethoxyphenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945797
6-amino-4-(4-phenylphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3562980

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 764926) is (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCC(CC)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21.
What is the InChIKey of (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is IPVCPNKDNPVCAK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-11(4-2)14-13(10-19)17(20)23-18-15(14)16(21-22-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,20H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 764926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).