7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole

C19H18N2O2 — CID 24813149

IUPAC7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole
SMILESCOc1ccc2c(c1)OC(C)(C)c1cnn(-c3ccccc3)c1-2
InChIInChI=1S/C19H18N2O2/c1-19(2)16-12-20-21(13-7-5-4-6-8-13)18(16)15-10-9-14(22-3)11-17(15)23-19/h4-12H,1-3H3
InChIKeyKCLFHSZGDIMPRI-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.18
Rot. Bonds2

About 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole

7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole (PubChem CID 24813149) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole
PubChem CID24813149
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole
SMILESCOc1ccc2c(c1)OC(C)(C)c1cnn(-c3ccccc3)c1-2
InChIInChI=1S/C19H18N2O2/c1-19(2)16-12-20-21(13-7-5-4-6-8-13)18(16)15-10-9-14(22-3)11-17(15)23-19/h4-12H,1-3H3
InChIKeyKCLFHSZGDIMPRI-UHFFFAOYSA-N
XLogP4.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole?
The IUPAC name of 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole (CID 24813149) is 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole.
What is the SMILES notation for 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole?
The canonical SMILES for 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole is COc1ccc2c(c1)OC(C)(C)c1cnn(-c3ccccc3)c1-2.
What is the InChIKey of 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole?
The InChIKey is KCLFHSZGDIMPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(2)16-12-20-21(13-7-5-4-6-8-13)18(16)15-10-9-14(22-3)11-17(15)23-19/h4-12H,1-3H3.
What are the key properties of 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole?
7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole has a molecular weight of 306.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole is sourced from PubChem (CID 24813149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).