5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine

C20H20F2N4O — CID 158378532

IUPAC5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine
SMILESFc1cccc(F)c1-n1cc(-c2ncncc2OCC2CCCCC2)cn1
InChIInChI=1S/C20H20F2N4O/c21-16-7-4-8-17(22)20(16)26-11-15(9-25-26)19-18(10-23-13-24-19)27-12-14-5-2-1-3-6-14/h4,7-11,13-14H,1-3,5-6,12H2
InChIKeyHVMJGFCTONCAKZ-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.57
Rot. Bonds5

About 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine

5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine (PubChem CID 158378532) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine
PubChem CID158378532
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine
SMILESFc1cccc(F)c1-n1cc(-c2ncncc2OCC2CCCCC2)cn1
InChIInChI=1S/C20H20F2N4O/c21-16-7-4-8-17(22)20(16)26-11-15(9-25-26)19-18(10-23-13-24-19)27-12-14-5-2-1-3-6-14/h4,7-11,13-14H,1-3,5-6,12H2
InChIKeyHVMJGFCTONCAKZ-UHFFFAOYSA-N
XLogP4.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride
CID 146502566
4-[[4-[1-(4-ethylsulfonylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine
CID 146502697
[4-[[4-chloro-6-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexyl]carbamic acid
CID 146502667
[4-[[4-[1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexyl]carbamic acid
CID 146502523
3-(cyclopentylmethoxy)-4-fluoropyridine
CID 142361626
2-[4-[5-[[4-[[5-[(4-aminocyclohexyl)methoxy]-4-[1-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]methoxy]pyrimidin-4-yl]pyrazol-1-yl]benzonitrile
CID 146561923
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
CID 167147889
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
CID 58423208
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine (CID 158378532) is 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine is Fc1cccc(F)c1-n1cc(-c2ncncc2OCC2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine?
The InChIKey is HVMJGFCTONCAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-7-4-8-17(22)20(16)26-11-15(9-25-26)19-18(10-23-13-24-19)27-12-14-5-2-1-3-6-14/h4,7-11,13-14H,1-3,5-6,12H2.
What are the key properties of 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine?
5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine has a molecular weight of 370.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 158378532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).