1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole

C18H24N2O — CID 64779347

IUPAC1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
SMILESCCc1ccccc1OCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H24N2O/c1-2-15-8-6-7-11-18(15)21-14-16-12-13-20(19-16)17-9-4-3-5-10-17/h6-8,11-13,17H,2-5,9-10,14H2,1H3
InChIKeyRCHPDPOWZOJOEO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.53
Rot. Bonds5

About 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole

1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole (PubChem CID 64779347) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
PubChem CID64779347
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
SMILESCCc1ccccc1OCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H24N2O/c1-2-15-8-6-7-11-18(15)21-14-16-12-13-20(19-16)17-9-4-3-5-10-17/h6-8,11-13,17H,2-5,9-10,14H2,1H3
InChIKeyRCHPDPOWZOJOEO-UHFFFAOYSA-N
XLogP4.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole?
The IUPAC name of 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole (CID 64779347) is 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole.
What is the SMILES notation for 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole?
The canonical SMILES for 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole is CCc1ccccc1OCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole?
The InChIKey is RCHPDPOWZOJOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-15-8-6-7-11-18(15)21-14-16-12-13-20(19-16)17-9-4-3-5-10-17/h6-8,11-13,17H,2-5,9-10,14H2,1H3.
What are the key properties of 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole?
1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole has a molecular weight of 284.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole is sourced from PubChem (CID 64779347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).