N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine

C9H16FN3 — CID 83817454

IUPACN-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(CF)NC(C)C)n[nH]1
InChIInChI=1S/C9H16FN3/c1-6(2)11-9(5-10)8-4-7(3)12-13-8/h4,6,9,11H,5H2,1-3H3,(H,12,13)
InChIKeyBZWQGWZQESBJAQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.73
Rot. Bonds4

About N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine

N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine (PubChem CID 83817454) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine
PubChem CID83817454
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC NameN-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(CF)NC(C)C)n[nH]1
InChIInChI=1S/C9H16FN3/c1-6(2)11-9(5-10)8-4-7(3)12-13-8/h4,6,9,11H,5H2,1-3H3,(H,12,13)
InChIKeyBZWQGWZQESBJAQ-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine (CID 83817454) is N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine is Cc1cc(C(CF)NC(C)C)n[nH]1.
What is the InChIKey of N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine?
The InChIKey is BZWQGWZQESBJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-6(2)11-9(5-10)8-4-7(3)12-13-8/h4,6,9,11H,5H2,1-3H3,(H,12,13).
What are the key properties of N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine?
N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine has a molecular weight of 185.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 83817454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).