N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine

C15H22F3N3O2 — CID 167942950

IUPACN-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESCOC1(C(F)(F)F)CC(CNc2ccn(CC3CCOC3)n2)C1
InChIInChI=1S/C15H22F3N3O2/c1-22-14(15(16,17)18)6-12(7-14)8-19-13-2-4-21(20-13)9-11-3-5-23-10-11/h2,4,11-12H,3,5-10H2,1H3,(H,19,20)
InChIKeyCDERWKYVNKDOSB-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.69
Rot. Bonds6

About N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine

N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine (PubChem CID 167942950) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine
PubChem CID167942950
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC NameN-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESCOC1(C(F)(F)F)CC(CNc2ccn(CC3CCOC3)n2)C1
InChIInChI=1S/C15H22F3N3O2/c1-22-14(15(16,17)18)6-12(7-14)8-19-13-2-4-21(20-13)9-11-3-5-23-10-11/h2,4,11-12H,3,5-10H2,1H3,(H,19,20)
InChIKeyCDERWKYVNKDOSB-UHFFFAOYSA-N
XLogP2.69
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine (CID 167942950) is N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine is COC1(C(F)(F)F)CC(CNc2ccn(CC3CCOC3)n2)C1.
What is the InChIKey of N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine?
The InChIKey is CDERWKYVNKDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-22-14(15(16,17)18)6-12(7-14)8-19-13-2-4-21(20-13)9-11-3-5-23-10-11/h2,4,11-12H,3,5-10H2,1H3,(H,19,20).
What are the key properties of N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine?
N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine has a molecular weight of 333.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 167942950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).