(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine

C7H12FN3 — CID 115012224

IUPAC(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1ncc(CN)c1F
InChIInChI=1S/C7H12FN3/c1-5(2)11-7(8)6(3-9)4-10-11/h4-5H,3,9H2,1-2H3
InChIKeyJJEMAGQYUDRPNA-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.06
Rot. Bonds2

About (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine

(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 115012224) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID115012224
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1ncc(CN)c1F
InChIInChI=1S/C7H12FN3/c1-5(2)11-7(8)6(3-9)4-10-11/h4-5H,3,9H2,1-2H3
InChIKeyJJEMAGQYUDRPNA-UHFFFAOYSA-N
XLogP1.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine (CID 115012224) is (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine is CC(C)n1ncc(CN)c1F.
What is the InChIKey of (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is JJEMAGQYUDRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-5(2)11-7(8)6(3-9)4-10-11/h4-5H,3,9H2,1-2H3.
What are the key properties of (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine?
(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 157.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115012224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).