5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole

C18H17ClN2O — CID 117232675

IUPAC5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
SMILESCc1ccc(Cn2ncc(OCc3ccccc3)c2Cl)cc1
InChIInChI=1S/C18H17ClN2O/c1-14-7-9-15(10-8-14)12-21-18(19)17(11-20-21)22-13-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3
InChIKeyKZBHVLMAQUQUKM-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.47
Rot. Bonds5

About 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole

5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole (PubChem CID 117232675) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole.

Molecular Properties

Compound Name5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
PubChem CID117232675
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
SMILESCc1ccc(Cn2ncc(OCc3ccccc3)c2Cl)cc1
InChIInChI=1S/C18H17ClN2O/c1-14-7-9-15(10-8-14)12-21-18(19)17(11-20-21)22-13-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3
InChIKeyKZBHVLMAQUQUKM-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole
CID 117232231
6-methyl-3-phenylmethoxypyrazolo[1,5-a]pyridine
CID 164559312
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
CID 117231838
(E)-1-(1-benzyl-5-chloropyrazol-4-yl)-N-phenylmethoxymethanimine
CID 166187829
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
CID 46398734
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
1-benzyl-5-chloro-4-(4-methylphenyl)triazole
CID 72701212
4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole?
The IUPAC name of 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole (CID 117232675) is 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole.
What is the SMILES notation for 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole?
The canonical SMILES for 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole is Cc1ccc(Cn2ncc(OCc3ccccc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole?
The InChIKey is KZBHVLMAQUQUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-14-7-9-15(10-8-14)12-21-18(19)17(11-20-21)22-13-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3.
What are the key properties of 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole?
5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole has a molecular weight of 312.80 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole is sourced from PubChem (CID 117232675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).