5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole

C11H11ClN2O — CID 75528285

IUPAC5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(CCl)[nH]n2)cc1
InChIInChI=1S/C11H11ClN2O/c1-15-10-4-2-8(3-5-10)11-6-9(7-12)13-14-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeyBIWWWBIYVGKJIQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.82
Rot. Bonds3

About 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 75528285) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID75528285
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(CCl)[nH]n2)cc1
InChIInChI=1S/C11H11ClN2O/c1-15-10-4-2-8(3-5-10)11-6-9(7-12)13-14-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeyBIWWWBIYVGKJIQ-UHFFFAOYSA-N
XLogP2.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 102325228
5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
5-chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
CID 175416676
4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine
CID 69315255
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516
5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
CID 2763864

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 75528285) is 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(CCl)[nH]n2)cc1.
What is the InChIKey of 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is BIWWWBIYVGKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-15-10-4-2-8(3-5-10)11-6-9(7-12)13-14-11/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 75528285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).