2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol

C18H16Cl2N2O — CID 137065942

IUPAC2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol
SMILESCC(C)c1cc(-c2ccc(O)c(Cl)c2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16Cl2N2O/c1-11(2)16-10-17(12-3-8-18(23)15(20)9-12)22(21-16)14-6-4-13(19)5-7-14/h3-11,23H,1-2H3
InChIKeyLIFIPLRQBVSBIQ-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.68
Rot. Bonds3

About 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol

2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol (PubChem CID 137065942) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol
PubChem CID137065942
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol
SMILESCC(C)c1cc(-c2ccc(O)c(Cl)c2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16Cl2N2O/c1-11(2)16-10-17(12-3-8-18(23)15(20)9-12)22(21-16)14-6-4-13(19)5-7-14/h3-11,23H,1-2H3
InChIKeyLIFIPLRQBVSBIQ-UHFFFAOYSA-N
XLogP5.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylphenyl)pyrazole
CID 143036335
1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381271
1-(4-chlorophenyl)-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 55071003
4-[5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]aniline
CID 70336206
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587253
4-[5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]aniline;formaldehyde
CID 143049758
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
CID 94962234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol (CID 137065942) is 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol is CC(C)c1cc(-c2ccc(O)c(Cl)c2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol?
The InChIKey is LIFIPLRQBVSBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-11(2)16-10-17(12-3-8-18(23)15(20)9-12)22(21-16)14-6-4-13(19)5-7-14/h3-11,23H,1-2H3.
What are the key properties of 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol?
2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol has a molecular weight of 347.25 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol is sourced from PubChem (CID 137065942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).