1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol

C21H22N6O2 — CID 72944333

IUPAC1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1cc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2)cn1
InChIInChI=1S/C21H22N6O2/c1-26-11-18(9-24-26)15-4-3-5-16(6-15)21-22-7-17(8-23-21)19-10-25-27(12-19)13-20(28)14-29-2/h3-12,20,28H,13-14H2,1-2H3
InChIKeyKQWBUNMSCUQBOA-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.41
Rot. Bonds7

About 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol

1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 72944333) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol
PubChem CID72944333
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1cc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2)cn1
InChIInChI=1S/C21H22N6O2/c1-26-11-18(9-24-26)15-4-3-5-16(6-15)21-22-7-17(8-23-21)19-10-25-27(12-19)13-20(28)14-29-2/h3-12,20,28H,13-14H2,1-2H3
InChIKeyKQWBUNMSCUQBOA-UHFFFAOYSA-N
XLogP2.41
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-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

2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone
CID 72944544
1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 72944763
1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 72944865
1,1,1-trifluoro-3-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]propan-2-ol
CID 72944227
2-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]oxyethanol
CID 118072883
methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656393
1-methyl-4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazole-3-carboxylic acid
CID 118072863
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-one
CID 72943398
1-[3-(hydroxymethyl)-4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 118227178
2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol
CID 166638800
1-(2-methoxypropyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazole
CID 163312721

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol (CID 72944333) is 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol is COCC(O)Cn1cc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2)cn1.
What is the InChIKey of 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is KQWBUNMSCUQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-26-11-18(9-24-26)15-4-3-5-16(6-15)21-22-7-17(8-23-21)19-10-25-27(12-19)13-20(28)14-29-2/h3-12,20,28H,13-14H2,1-2H3.
What are the key properties of 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol?
1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 390.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 72944333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).