(4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C22H20N4O — CID 1418072

IUPAC(4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H20N4O/c1-2-9-18-20-19(15-10-5-3-6-11-15)17(14-23)21(24)27-22(20)26(25-18)16-12-7-4-8-13-16/h3-8,10-13,19H,2,9,24H2,1H3/t19-/m1/s1
InChIKeyQQLWXDZYHUHUMV-LJQANCHMSA-N
MW356.43 g/mol
LogP4.04
Rot. Bonds4

About (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

(4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 1418072) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID1418072
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H20N4O/c1-2-9-18-20-19(15-10-5-3-6-11-15)17(14-23)21(24)27-22(20)26(25-18)16-12-7-4-8-13-16/h3-8,10-13,19H,2,9,24H2,1H3/t19-/m1/s1
InChIKeyQQLWXDZYHUHUMV-LJQANCHMSA-N
XLogP4.04
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-amino-4-(3,4-dihydroxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 4029023
6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3827266
6-amino-1-phenyl-3-propyl-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3507390
(4R)-6-amino-4-(2-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1418848
(4R)-6-amino-4-(2-bromo-6-chlorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 51566972
6-amino-4-(4-tert-butylphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 50884017
6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 19334606
6-amino-3-methyl-1-phenyl-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 4739438
(4S)-6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-(trifluoromethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 7173172
(4R)-6-amino-4-(3,4-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 983475
6-amino-4-(2,6-dichlorophenyl)-1-methyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 4104923
6-amino-4-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 19334674

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 1418072) is (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is QQLWXDZYHUHUMV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-9-18-20-19(15-10-5-3-6-11-15)17(14-23)21(24)27-22(20)26(25-18)16-12-7-4-8-13-16/h3-8,10-13,19H,2,9,24H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
(4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-1,4-diphenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 1418072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).