4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine

C21H21FN6O — CID 160979710

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine
SMILESCOc1c(-c2ccc(F)cc2)nn(C)c1Cc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C21H21FN6O/c1-13-9-14(2)28(25-13)19-11-17(23-12-24-19)10-18-21(29-4)20(26-27(18)3)15-5-7-16(22)8-6-15/h5-9,11-12H,10H2,1-4H3
InChIKeySZIRGSIOXQAORA-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.42
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine (PubChem CID 160979710) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine
PubChem CID160979710
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine
SMILESCOc1c(-c2ccc(F)cc2)nn(C)c1Cc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C21H21FN6O/c1-13-9-14(2)28(25-13)19-11-17(23-12-24-19)10-18-21(29-4)20(26-27(18)3)15-5-7-16(22)8-6-15/h5-9,11-12H,10H2,1-4H3
InChIKeySZIRGSIOXQAORA-UHFFFAOYSA-N
XLogP3.42
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine (CID 160979710) is 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine is COc1c(-c2ccc(F)cc2)nn(C)c1Cc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine?
The InChIKey is SZIRGSIOXQAORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-13-9-14(2)28(25-13)19-11-17(23-12-24-19)10-18-21(29-4)20(26-27(18)3)15-5-7-16(22)8-6-15/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine has a molecular weight of 392.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine is sourced from PubChem (CID 160979710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).