N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide

C24H23N5O2 — CID 4573553

IUPACN'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C2C(C#N)=C(N=CN(C)C)Oc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-21-22(17-10-12-19(30-4)13-11-17)20(14-25)23(26-15-28(2)3)31-24(21)29(27-16)18-8-6-5-7-9-18/h5-13,15,22H,1-4H3
InChIKeyGOKSOIRRWSBZPA-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.04
Rot. Bonds5

About N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide

N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide (PubChem CID 4573553) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide
PubChem CID4573553
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C2C(C#N)=C(N=CN(C)C)Oc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-21-22(17-10-12-19(30-4)13-11-17)20(14-25)23(26-15-28(2)3)31-24(21)29(27-16)18-8-6-5-7-9-18/h5-13,15,22H,1-4H3
InChIKeyGOKSOIRRWSBZPA-UHFFFAOYSA-N
XLogP4.04
TPSA75.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide (CID 4573553) is N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide is COc1ccc(C2C(C#N)=C(N=CN(C)C)Oc3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide?
The InChIKey is GOKSOIRRWSBZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-21-22(17-10-12-19(30-4)13-11-17)20(14-25)23(26-15-28(2)3)31-24(21)29(27-16)18-8-6-5-7-9-18/h5-13,15,22H,1-4H3.
What are the key properties of N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide?
N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide has a molecular weight of 413.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4573553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).