3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole

C17H15ClN2O — CID 58913514

IUPAC3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)n[nH]1
InChIInChI=1S/C17H15ClN2O/c1-12-9-16(20-19-12)14-7-8-17(15(18)10-14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyRSGYIASYTXLPLI-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.62
Rot. Bonds4

About 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole

3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole (PubChem CID 58913514) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
PubChem CID58913514
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)n[nH]1
InChIInChI=1S/C17H15ClN2O/c1-12-9-16(20-19-12)14-7-8-17(15(18)10-14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyRSGYIASYTXLPLI-UHFFFAOYSA-N
XLogP4.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole
CID 110537978
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534516
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110534777
3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110533589
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole (CID 58913514) is 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole is Cc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole?
The InChIKey is RSGYIASYTXLPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-9-16(20-19-12)14-7-8-17(15(18)10-14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole?
3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole has a molecular weight of 298.77 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 58913514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).