3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine

C14H18FN3O — CID 142457146

IUPAC3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCOC(c1ccc(-c2cnn(C)c2)cc1)C(N)CF
InChIInChI=1S/C14H18FN3O/c1-18-9-12(8-17-18)10-3-5-11(6-4-10)14(19-2)13(16)7-15/h3-6,8-9,13-14H,7,16H2,1-2H3
InChIKeySXAVZNFVMYHQRX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.07
Rot. Bonds5

About 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine

3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine (PubChem CID 142457146) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine
PubChem CID142457146
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCOC(c1ccc(-c2cnn(C)c2)cc1)C(N)CF
InChIInChI=1S/C14H18FN3O/c1-18-9-12(8-17-18)10-3-5-11(6-4-10)14(19-2)13(16)7-15/h3-6,8-9,13-14H,7,16H2,1-2H3
InChIKeySXAVZNFVMYHQRX-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine?
The IUPAC name of 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine (CID 142457146) is 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine is COC(c1ccc(-c2cnn(C)c2)cc1)C(N)CF.
What is the InChIKey of 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine?
The InChIKey is SXAVZNFVMYHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18-9-12(8-17-18)10-3-5-11(6-4-10)14(19-2)13(16)7-15/h3-6,8-9,13-14H,7,16H2,1-2H3.
What are the key properties of 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine?
3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 142457146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).