2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine

C16H22FN3 — CID 167076606

IUPAC2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCCCn1cc(-c2cc(C)c(F)c(C(C)(C)N)c2)cn1
InChIInChI=1S/C16H22FN3/c1-5-6-20-10-13(9-19-20)12-7-11(2)15(17)14(8-12)16(3,4)18/h7-10H,5-6,18H2,1-4H3
InChIKeyVMVVKYRNHQGAOJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.60
Rot. Bonds4

About 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine

2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine (PubChem CID 167076606) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine
PubChem CID167076606
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCCCn1cc(-c2cc(C)c(F)c(C(C)(C)N)c2)cn1
InChIInChI=1S/C16H22FN3/c1-5-6-20-10-13(9-19-20)12-7-11(2)15(17)14(8-12)16(3,4)18/h7-10H,5-6,18H2,1-4H3
InChIKeyVMVVKYRNHQGAOJ-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine (CID 167076606) is 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine is CCCn1cc(-c2cc(C)c(F)c(C(C)(C)N)c2)cn1.
What is the InChIKey of 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine?
The InChIKey is VMVVKYRNHQGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-6-20-10-13(9-19-20)12-7-11(2)15(17)14(8-12)16(3,4)18/h7-10H,5-6,18H2,1-4H3.
What are the key properties of 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine?
2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 167076606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).