(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine

C15H20FN3O — CID 135182123

IUPAC(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
SMILESCC(F)(COCc1ccccc1)[C@H](N)Cn1cccn1
InChIInChI=1S/C15H20FN3O/c1-15(16,14(17)10-19-9-5-8-18-19)12-20-11-13-6-3-2-4-7-13/h2-9,14H,10-12,17H2,1H3/t14-,15?/m1/s1
InChIKeySWPUTNIAGLCKGR-GICMACPYSA-N
MW277.34 g/mol
LogP2.16
Rot. Bonds7

About (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine

(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine (PubChem CID 135182123) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
PubChem CID135182123
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
SMILESCC(F)(COCc1ccccc1)[C@H](N)Cn1cccn1
InChIInChI=1S/C15H20FN3O/c1-15(16,14(17)10-19-9-5-8-18-19)12-20-11-13-6-3-2-4-7-13/h2-9,14H,10-12,17H2,1H3/t14-,15?/m1/s1
InChIKeySWPUTNIAGLCKGR-GICMACPYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
CID 175133057
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 64974574
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2-(3,3-difluoro-4-phenylmethoxybutyl)triazole
CID 146967401
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
1-ethyl-3-(2-pyrazol-1-ylethyl)-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111857925
(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 100620691
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692

Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine (CID 135182123) is (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine is CC(F)(COCc1ccccc1)[C@H](N)Cn1cccn1.
What is the InChIKey of (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is SWPUTNIAGLCKGR-GICMACPYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-15(16,14(17)10-19-9-5-8-18-19)12-20-11-13-6-3-2-4-7-13/h2-9,14H,10-12,17H2,1H3/t14-,15?/m1/s1.
What are the key properties of (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine?
(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 135182123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).