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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
2-Hydroxybenzaldehyde [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl](methyl)hydrazone
CID 135403123
2-[4-[[(E)-Benzylideneamino]-methylamino]-6-methylpyrimidin-2-yl]phenol
CID 135403126
2-(4-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-6-methylpyrimidin-2-yl)phenol
CID 135549437
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2S)-2-hydroxy-2-phenyl-ethyl]guanidine
CID 6480066
1-Phenylethanone [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl]hydrazone
CID 135460419
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}phenol
CID 135619980
2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol
CID 3013269
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenyl-4-pyrimidinyl]phenol
CID 796234
(3R)-2-(4,6-dimethylpyrimidin-2-yl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 76309845
(3R)-2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 76317066
(3R)-2-(4,6-dimethylpyrimidin-2-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 76320789

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).