4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole

C17H15ClN2O — CID 102127698

IUPAC4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C17H15ClN2O/c1-20-17(13-6-4-3-5-7-13)15(18)16(19-20)12-8-10-14(21-2)11-9-12/h3-11H,1-2H3
InChIKeyLSYASENEJRSXNT-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole

4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole (PubChem CID 102127698) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
PubChem CID102127698
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C17H15ClN2O/c1-20-17(13-6-4-3-5-7-13)15(18)16(19-20)12-8-10-14(21-2)11-9-12/h3-11H,1-2H3
InChIKeyLSYASENEJRSXNT-UHFFFAOYSA-N
XLogP4.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
CID 3734300
2-[3,4-bis(4-methoxyphenyl)-1H-pyrazol-1-yl]-1-ethanol
CID 1480554
2-[[1-(2-Cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2389775
3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370649
N-methyl-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}propan-2-amine
CID 23723277
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
CID 50908377
2-(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(4-pentoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 56965178
(E)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 168273871
3-(4-Methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 12121022
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The IUPAC name of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole (CID 102127698) is 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The canonical SMILES for 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole is COc1ccc(-c2nn(C)c(-c3ccccc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The InChIKey is LSYASENEJRSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-20-17(13-6-4-3-5-7-13)15(18)16(19-20)12-8-10-14(21-2)11-9-12/h3-11H,1-2H3.
What are the key properties of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole has a molecular weight of 298.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole is sourced from PubChem (CID 102127698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).