(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine

C18H26FN3O — CID 94815102

IUPAC(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1c(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C
InChIInChI=1S/C18H26FN3O/c1-12-15(17(23-6)22(5)21-12)11-20-16(18(2,3)4)13-7-9-14(19)10-8-13/h7-10,16,20H,11H2,1-6H3/t16-/m0/s1
InChIKeyQZJJLMYZSXGJJX-INIZCTEOSA-N
MW319.42 g/mol
LogP3.75
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine

(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 94815102) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID94815102
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1c(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C
InChIInChI=1S/C18H26FN3O/c1-12-15(17(23-6)22(5)21-12)11-20-16(18(2,3)4)13-7-9-14(19)10-8-13/h7-10,16,20H,11H2,1-6H3/t16-/m0/s1
InChIKeyQZJJLMYZSXGJJX-INIZCTEOSA-N
XLogP3.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
US11576897, Example 20
CID 56600157
US10183913, Example 33
CID 56600546
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348
US10183913, Example 258
CID 56601749
US10183913, Example 447
CID 56601947
US10183913, Example 481
CID 56602155
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine (CID 94815102) is (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine is COc1c(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is QZJJLMYZSXGJJX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-12-15(17(23-6)22(5)21-12)11-20-16(18(2,3)4)13-7-9-14(19)10-8-13/h7-10,16,20H,11H2,1-6H3/t16-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine?
(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 319.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 94815102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).