4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole

C14H17ClN2O — CID 66438831

IUPAC4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
SMILESCOc1ccccc1-n1ncc(CCl)c1C(C)C
InChIInChI=1S/C14H17ClN2O/c1-10(2)14-11(8-15)9-16-17(14)12-6-4-5-7-13(12)18-3/h4-7,9-10H,8H2,1-3H3
InChIKeyGOBQRXLYTAAEAJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.74
Rot. Bonds4

About 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole

4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole (PubChem CID 66438831) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
PubChem CID66438831
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
SMILESCOc1ccccc1-n1ncc(CCl)c1C(C)C
InChIInChI=1S/C14H17ClN2O/c1-10(2)14-11(8-15)9-16-17(14)12-6-4-5-7-13(12)18-3/h4-7,9-10H,8H2,1-3H3
InChIKeyGOBQRXLYTAAEAJ-UHFFFAOYSA-N
XLogP3.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66440776
N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441179
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
1-(5-chloro-2-methoxyphenyl)-4-(chloromethyl)-5-methylpyrazole
CID 82528095
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 95483572
4-[(dipropylamino)methyl]-1-(2-methoxyphenyl)pyrazol-5-amine
CID 82171697

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole?
The IUPAC name of 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole (CID 66438831) is 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole?
The canonical SMILES for 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole is COc1ccccc1-n1ncc(CCl)c1C(C)C.
What is the InChIKey of 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole?
The InChIKey is GOBQRXLYTAAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(2)14-11(8-15)9-16-17(14)12-6-4-5-7-13(12)18-3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole?
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole has a molecular weight of 264.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 66438831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).