4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine

C15H11ClF2N4O — CID 118277660

IUPAC4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine
SMILESCOc1cc(-c2cc(Cl)ccc2-c2cnn(C(F)F)c2)ncn1
InChIInChI=1S/C15H11ClF2N4O/c1-23-14-5-13(19-8-20-14)12-4-10(16)2-3-11(12)9-6-21-22(7-9)15(17)18/h2-8,15H,1H3
InChIKeyKCARIMWPQLBFKL-UHFFFAOYSA-N
MW336.73 g/mol
LogP4.06
Rot. Bonds4

About 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine

4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine (PubChem CID 118277660) has the molecular formula C15H11ClF2N4O and a molecular weight of 336.73 g/mol. Its IUPAC name is 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine
PubChem CID118277660
Molecular FormulaC15H11ClF2N4O
Molecular Weight336.73 g/mol
Exact Mass336.06
IUPAC Name4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine
SMILESCOc1cc(-c2cc(Cl)ccc2-c2cnn(C(F)F)c2)ncn1
InChIInChI=1S/C15H11ClF2N4O/c1-23-14-5-13(19-8-20-14)12-4-10(16)2-3-11(12)9-6-21-22(7-9)15(17)18/h2-8,15H,1H3
InChIKeyKCARIMWPQLBFKL-UHFFFAOYSA-N
XLogP4.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-Chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164625093
4-Chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101473
3-Methoxy-1-[2-pyrazolyl-6-(trifluoromethyl)pyrimidin-4-yl]benzene
CID 4093842
1-[2-(4-Chloropyrazolyl)-6-(trifluoromethyl)pyrimidin-4-yl]-4-methoxybenzene
CID 4277284
7-(4-Chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465878
US20240239774, Example 160
CID 166101676
US20240239774, Example 161
CID 166101933
2-[4-(4-Methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
CID 134133946
2-(3-Chlorophenyl)-5-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 15452281
2-(6-Chloropyridin-3-yl)-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 17777667

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine?
The IUPAC name of 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine (CID 118277660) is 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine?
The canonical SMILES for 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine is COc1cc(-c2cc(Cl)ccc2-c2cnn(C(F)F)c2)ncn1.
What is the InChIKey of 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine?
The InChIKey is KCARIMWPQLBFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O/c1-23-14-5-13(19-8-20-14)12-4-10(16)2-3-11(12)9-6-21-22(7-9)15(17)18/h2-8,15H,1H3.
What are the key properties of 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine?
4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine has a molecular weight of 336.73 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-6-methoxypyrimidine is sourced from PubChem (CID 118277660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).