3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine

C18H23N3O — CID 167978748

IUPAC3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
SMILESNC1CC(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)C1
InChIInChI=1S/C18H23N3O/c19-17-9-15(10-17)13-4-6-14(7-5-13)16-11-20-21(12-16)18-3-1-2-8-22-18/h4-7,11-12,15,17-18H,1-3,8-10,19H2
InChIKeyHLSRTFJXEVCQQT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.45
Rot. Bonds3

About 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine

3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine (PubChem CID 167978748) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
PubChem CID167978748
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
SMILESNC1CC(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)C1
InChIInChI=1S/C18H23N3O/c19-17-9-15(10-17)13-4-6-14(7-5-13)16-11-20-21(12-16)18-3-1-2-8-22-18/h4-7,11-12,15,17-18H,1-3,8-10,19H2
InChIKeyHLSRTFJXEVCQQT-UHFFFAOYSA-N
XLogP3.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine (CID 167978748) is 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine is NC1CC(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)C1.
What is the InChIKey of 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine?
The InChIKey is HLSRTFJXEVCQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-17-9-15(10-17)13-4-6-14(7-5-13)16-11-20-21(12-16)18-3-1-2-8-22-18/h4-7,11-12,15,17-18H,1-3,8-10,19H2.
What are the key properties of 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine?
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 167978748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).