(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine

C15H23F2N3O2 — CID 154796838

IUPAC(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine
SMILESCOCCn1cc([C@H]2OCC[C@@H]2NCC2CC(F)(F)C2)cn1
InChIInChI=1S/C15H23F2N3O2/c1-21-5-3-20-10-12(9-19-20)14-13(2-4-22-14)18-8-11-6-15(16,17)7-11/h9-11,13-14,18H,2-8H2,1H3/t13-,14+/m0/s1
InChIKeyWNMORJQTINGWOJ-UONOGXRCSA-N
MW315.36 g/mol
LogP1.99
Rot. Bonds7

About (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine

(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine (PubChem CID 154796838) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine
PubChem CID154796838
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine
SMILESCOCCn1cc([C@H]2OCC[C@@H]2NCC2CC(F)(F)C2)cn1
InChIInChI=1S/C15H23F2N3O2/c1-21-5-3-20-10-12(9-19-20)14-13(2-4-22-14)18-8-11-6-15(16,17)7-11/h9-11,13-14,18H,2-8H2,1H3/t13-,14+/m0/s1
InChIKeyWNMORJQTINGWOJ-UONOGXRCSA-N
XLogP1.99
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
rac-(2R,3S)-2-(1-(cyclopropylmethyl)-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 122164221
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 71929305
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 164640819
N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029925
1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 103030124
1-(1-Methylpyrazol-4-yl)-1-(2,2,2-trifluoroethoxy)propan-2-amine
CID 61624403
1-(1-Methylpyrazol-4-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 61624404
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrazol-4-yl]butan-2-amine
CID 62732034
1-(1-Methylpyrazol-4-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66274767

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine?
The IUPAC name of (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine (CID 154796838) is (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine?
The canonical SMILES for (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine is COCCn1cc([C@H]2OCC[C@@H]2NCC2CC(F)(F)C2)cn1.
What is the InChIKey of (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine?
The InChIKey is WNMORJQTINGWOJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-21-5-3-20-10-12(9-19-20)14-13(2-4-22-14)18-8-11-6-15(16,17)7-11/h9-11,13-14,18H,2-8H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine?
(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine has a molecular weight of 315.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine is sourced from PubChem (CID 154796838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).