3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole

C16H19ClN2O — CID 64779344

IUPAC3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
SMILESClc1cccc(OCc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C16H19ClN2O/c17-13-5-4-8-16(11-13)20-12-14-9-10-19(18-14)15-6-2-1-3-7-15/h4-5,8-11,15H,1-3,6-7,12H2
InChIKeyNIDIREYQDHVYTQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.62
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole

3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole (PubChem CID 64779344) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
PubChem CID64779344
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
SMILESClc1cccc(OCc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C16H19ClN2O/c17-13-5-4-8-16(11-13)20-12-14-9-10-19(18-14)15-6-2-1-3-7-15/h4-5,8-11,15H,1-3,6-7,12H2
InChIKeyNIDIREYQDHVYTQ-UHFFFAOYSA-N
XLogP4.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole (CID 64779344) is 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole is Clc1cccc(OCc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole?
The InChIKey is NIDIREYQDHVYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-5-4-8-16(11-13)20-12-14-9-10-19(18-14)15-6-2-1-3-7-15/h4-5,8-11,15H,1-3,6-7,12H2.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole?
3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole has a molecular weight of 290.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole is sourced from PubChem (CID 64779344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).