4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole

C15H16N2O — CID 22037600

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1C1=CCOCC1
InChIInChI=1S/C15H16N2O/c1-11-14(12-7-9-18-10-8-12)15(17-16-11)13-5-3-2-4-6-13/h2-7H,8-10H2,1H3,(H,16,17)
InChIKeyVNJMOYLOXHDPMT-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.19
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole

4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole (PubChem CID 22037600) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole
PubChem CID22037600
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1C1=CCOCC1
InChIInChI=1S/C15H16N2O/c1-11-14(12-7-9-18-10-8-12)15(17-16-11)13-5-3-2-4-6-13/h2-7H,8-10H2,1H3,(H,16,17)
InChIKeyVNJMOYLOXHDPMT-UHFFFAOYSA-N
XLogP3.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole (CID 22037600) is 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole is Cc1[nH]nc(-c2ccccc2)c1C1=CCOCC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole?
The InChIKey is VNJMOYLOXHDPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-14(12-7-9-18-10-8-12)15(17-16-11)13-5-3-2-4-6-13/h2-7H,8-10H2,1H3,(H,16,17).
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole?
4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole has a molecular weight of 240.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole is sourced from PubChem (CID 22037600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).