4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine

C15H11ClF2N4O — CID 141427956

IUPAC4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
SMILESCOc1nc(-c2ccn(Cc3ccccc3F)n2)nc(Cl)c1F
InChIInChI=1S/C15H11ClF2N4O/c1-23-15-12(18)13(16)19-14(20-15)11-6-7-22(21-11)8-9-4-2-3-5-10(9)17/h2-7H,8H2,1H3
InChIKeyNAYRILBVIFGOLY-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine

4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine (PubChem CID 141427956) has the molecular formula C15H11ClF2N4O and a molecular weight of 336.73 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
PubChem CID141427956
Molecular FormulaC15H11ClF2N4O
Molecular Weight336.73 g/mol
Exact Mass336.06
IUPAC Name4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
SMILESCOc1nc(-c2ccn(Cc3ccccc3F)n2)nc(Cl)c1F
InChIInChI=1S/C15H11ClF2N4O/c1-23-15-12(18)13(16)19-14(20-15)11-6-7-22(21-11)8-9-4-2-3-5-10(9)17/h2-7H,8H2,1H3
InChIKeyNAYRILBVIFGOLY-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969658
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
CID 90722088
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
CID 91337023
4-(4,5-dihydro-1H-imidazol-2-yl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidine
CID 91149613
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 26338246
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123
5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
CID 90991851
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42210415
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
CID 117106734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine (CID 141427956) is 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine is COc1nc(-c2ccn(Cc3ccccc3F)n2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine?
The InChIKey is NAYRILBVIFGOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O/c1-23-15-12(18)13(16)19-14(20-15)11-6-7-22(21-11)8-9-4-2-3-5-10(9)17/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine?
4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine has a molecular weight of 336.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine is sourced from PubChem (CID 141427956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).