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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Related Compounds

5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 169094884
3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783

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).