2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine

C15H12F2N4O — CID 137435042

IUPAC2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine
SMILESCc1c(-c2cc(F)cc(F)c2)c(Oc2ncccn2)nn1C
InChIInChI=1S/C15H12F2N4O/c1-9-13(10-6-11(16)8-12(17)7-10)14(20-21(9)2)22-15-18-4-3-5-19-15/h3-8H,1-2H3
InChIKeyMXYNHEZMMPUMRQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.26
Rot. Bonds3

About 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine

2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine (PubChem CID 137435042) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine
PubChem CID137435042
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine
SMILESCc1c(-c2cc(F)cc(F)c2)c(Oc2ncccn2)nn1C
InChIInChI=1S/C15H12F2N4O/c1-9-13(10-6-11(16)8-12(17)7-10)14(20-21(9)2)22-15-18-4-3-5-19-15/h3-8H,1-2H3
InChIKeyMXYNHEZMMPUMRQ-UHFFFAOYSA-N
XLogP3.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
N-(3,4-Difluorophenyl)-4-(2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 6539412
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
Pyrazolo[1,5-b]pyridazine deriv. 39
CID 6539381
Pyrazolo[1,5-b]pyridazine deriv. 49
CID 6539391
2-Fluoro-4-[6-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
CID 1472930
3-Fluoropropyl 4-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylphenyl ether
CID 3725345
7-{2-[(4-Fluorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3844416
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
1-[2-(4-Chloropyrazolyl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methoxybenzene
CID 3331216
4-[3-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-phenoxypyrimidine
CID 10222044
6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine?
The IUPAC name of 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine (CID 137435042) is 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine is Cc1c(-c2cc(F)cc(F)c2)c(Oc2ncccn2)nn1C.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine?
The InChIKey is MXYNHEZMMPUMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-9-13(10-6-11(16)8-12(17)7-10)14(20-21(9)2)22-15-18-4-3-5-19-15/h3-8H,1-2H3.
What are the key properties of 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine?
2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine has a molecular weight of 302.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine is sourced from PubChem (CID 137435042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).