[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol

C15H12Cl2N4O2 — CID 170608573

IUPAC[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(-c2ncc(OCc3c(Cl)cccc3Cl)cn2)n[nH]1
InChIInChI=1S/C15H12Cl2N4O2/c16-12-2-1-3-13(17)11(12)8-23-10-5-18-15(19-6-10)14-4-9(7-22)20-21-14/h1-6,22H,7-8H2,(H,20,21)
InChIKeyRWEQTJCGZXGTIA-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.24
Rot. Bonds5

About [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol

[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol (PubChem CID 170608573) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol
PubChem CID170608573
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(-c2ncc(OCc3c(Cl)cccc3Cl)cn2)n[nH]1
InChIInChI=1S/C15H12Cl2N4O2/c16-12-2-1-3-13(17)11(12)8-23-10-5-18-15(19-6-10)14-4-9(7-22)20-21-14/h1-6,22H,7-8H2,(H,20,21)
InChIKeyRWEQTJCGZXGTIA-UHFFFAOYSA-N
XLogP3.24
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
CID 170608894
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide
CID 170608782
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
CID 176829001
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]imidazol-4-yl]methanol
CID 176828873
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
CID 170608510
1-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,4-diazepane
CID 175982328
(4R)-1-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 170608817
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol (CID 170608573) is [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol is OCc1cc(-c2ncc(OCc3c(Cl)cccc3Cl)cn2)n[nH]1.
What is the InChIKey of [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol?
The InChIKey is RWEQTJCGZXGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c16-12-2-1-3-13(17)11(12)8-23-10-5-18-15(19-6-10)14-4-9(7-22)20-21-14/h1-6,22H,7-8H2,(H,20,21).
What are the key properties of [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol?
[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol has a molecular weight of 351.19 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 170608573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).