2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole

C20H23ClN2O — CID 142314699

IUPAC2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole
SMILESCc1ccc(-c2ccc(OC(C)C)c(Cl)c2)cc1N1C=CC(C)N1
InChIInChI=1S/C20H23ClN2O/c1-13(2)24-20-8-7-16(11-18(20)21)17-6-5-14(3)19(12-17)23-10-9-15(4)22-23/h5-13,15,22H,1-4H3
InChIKeyKZALRMPKOGXROD-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.33
Rot. Bonds4

About 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole

2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole (PubChem CID 142314699) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole
PubChem CID142314699
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole
SMILESCc1ccc(-c2ccc(OC(C)C)c(Cl)c2)cc1N1C=CC(C)N1
InChIInChI=1S/C20H23ClN2O/c1-13(2)24-20-8-7-16(11-18(20)21)17-6-5-14(3)19(12-17)23-10-9-15(4)22-23/h5-13,15,22H,1-4H3
InChIKeyKZALRMPKOGXROD-UHFFFAOYSA-N
XLogP5.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
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1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
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2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
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5-(3-chloro-4-methoxyphenyl)-2-methylaniline
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6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine
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2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
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[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole?
The IUPAC name of 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole (CID 142314699) is 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole?
The canonical SMILES for 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole is Cc1ccc(-c2ccc(OC(C)C)c(Cl)c2)cc1N1C=CC(C)N1.
What is the InChIKey of 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole?
The InChIKey is KZALRMPKOGXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13(2)24-20-8-7-16(11-18(20)21)17-6-5-14(3)19(12-17)23-10-9-15(4)22-23/h5-13,15,22H,1-4H3.
What are the key properties of 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole?
2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole has a molecular weight of 342.87 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylphenyl]-5-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 142314699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).