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

C22H23FN6O — CID 157348418

IUPAC4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCOc1c(C)nn(-c2cc(Cc3c(C)nn(-c4ccc(F)cc4)c3C)ncn2)c1C
InChIInChI=1S/C22H23FN6O/c1-13-20(15(3)28(26-13)19-8-6-17(23)7-9-19)10-18-11-21(25-12-24-18)29-16(4)22(30-5)14(2)27-29/h6-9,11-12H,10H2,1-5H3
InChIKeyBHGAEXZACCULLL-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.82
Rot. Bonds5

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

4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 157348418) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID157348418
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCOc1c(C)nn(-c2cc(Cc3c(C)nn(-c4ccc(F)cc4)c3C)ncn2)c1C
InChIInChI=1S/C22H23FN6O/c1-13-20(15(3)28(26-13)19-8-6-17(23)7-9-19)10-18-11-21(25-12-24-18)29-16(4)22(30-5)14(2)27-29/h6-9,11-12H,10H2,1-5H3
InChIKeyBHGAEXZACCULLL-UHFFFAOYSA-N
XLogP3.82
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[[6-(4-acetyl-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-3,5-dimethylpyrazol-1-yl]benzonitrile
CID 159514780
4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 134440068
4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 148787519
4-[4-(cyclopropylmethoxy)-3,5-dimethylpyrazol-1-yl]-6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidine
CID 159572700
4-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]-6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]methyl]pyrimidine
CID 159989154
4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine
CID 160979710
4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine
CID 159542737
ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 158985140
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]pyrimidine
CID 159575169
1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole
CID 56867746
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 134439990
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine
CID 134698262

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine (CID 157348418) is 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine is COc1c(C)nn(-c2cc(Cc3c(C)nn(-c4ccc(F)cc4)c3C)ncn2)c1C.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is BHGAEXZACCULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13-20(15(3)28(26-13)19-8-6-17(23)7-9-19)10-18-11-21(25-12-24-18)29-16(4)22(30-5)14(2)27-29/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 406.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 157348418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).