4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

C21H29N3O — CID 155538169

IUPAC4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCC2)cc1
InChIInChI=1S/C21H29N3O/c1-16(2)17-6-8-18(9-7-17)21-14-19(15-23-10-12-25-13-11-23)22-24(21)20-4-3-5-20/h6-9,14,16,20H,3-5,10-13,15H2,1-2H3
InChIKeyFVADHUYFFATONF-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.23
Rot. Bonds5

About 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155538169) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155538169
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCC2)cc1
InChIInChI=1S/C21H29N3O/c1-16(2)17-6-8-18(9-7-17)21-14-19(15-23-10-12-25-13-11-23)22-24(21)20-4-3-5-20/h6-9,14,16,20H,3-5,10-13,15H2,1-2H3
InChIKeyFVADHUYFFATONF-UHFFFAOYSA-N
XLogP4.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (CID 155538169) is 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCC2)cc1.
What is the InChIKey of 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is FVADHUYFFATONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)17-6-8-18(9-7-17)21-14-19(15-23-10-12-25-13-11-23)22-24(21)20-4-3-5-20/h6-9,14,16,20H,3-5,10-13,15H2,1-2H3.
What are the key properties of 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155538169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).