2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol

C21H20N4O — CID 4963076

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol
SMILESCc1cc(C)nc(N2N=C(c3ccccc3)CC2(O)c2ccccc2)n1
InChIInChI=1S/C21H20N4O/c1-15-13-16(2)23-20(22-15)25-21(26,18-11-7-4-8-12-18)14-19(24-25)17-9-5-3-6-10-17/h3-13,26H,14H2,1-2H3
InChIKeyIUXZTBLZCKDTBV-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.55
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol

2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol (PubChem CID 4963076) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol
PubChem CID4963076
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol
SMILESCc1cc(C)nc(N2N=C(c3ccccc3)CC2(O)c2ccccc2)n1
InChIInChI=1S/C21H20N4O/c1-15-13-16(2)23-20(22-15)25-21(26,18-11-7-4-8-12-18)14-19(24-25)17-9-5-3-6-10-17/h3-13,26H,14H2,1-2H3
InChIKeyIUXZTBLZCKDTBV-UHFFFAOYSA-N
XLogP3.55
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol (CID 4963076) is 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol is Cc1cc(C)nc(N2N=C(c3ccccc3)CC2(O)c2ccccc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol?
The InChIKey is IUXZTBLZCKDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-13-16(2)23-20(22-15)25-21(26,18-11-7-4-8-12-18)14-19(24-25)17-9-5-3-6-10-17/h3-13,26H,14H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol?
2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol has a molecular weight of 344.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol is sourced from PubChem (CID 4963076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).