1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine

C12H15FN4 — CID 83128844

IUPAC1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1cc(-c2ccc(F)cn2)n[nH]1
InChIInChI=1S/C12H15FN4/c1-2-9(14)5-10-6-12(17-16-10)11-4-3-8(13)7-15-11/h3-4,6-7,9H,2,5,14H2,1H3,(H,16,17)
InChIKeyLGEQVEGQZKPCSM-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.89
Rot. Bonds4

About 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine

1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine (PubChem CID 83128844) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine
PubChem CID83128844
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1cc(-c2ccc(F)cn2)n[nH]1
InChIInChI=1S/C12H15FN4/c1-2-9(14)5-10-6-12(17-16-10)11-4-3-8(13)7-15-11/h3-4,6-7,9H,2,5,14H2,1H3,(H,16,17)
InChIKeyLGEQVEGQZKPCSM-UHFFFAOYSA-N
XLogP1.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-bromo-2-chlorophenyl)-1H-pyrazol-5-yl]butan-2-amine
CID 82781311
1-(5-fluoro-1H-indol-2-yl)butan-2-amine
CID 131338781
1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-2-yl formate
CID 174755393
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
1-[2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66071499
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
4-ethyl-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639025
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
3-(5-fluoro-2-pyridinyl)heptan-4-amine
CID 112586757
1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine
CID 63197343
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine?
The IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine (CID 83128844) is 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine is CCC(N)Cc1cc(-c2ccc(F)cn2)n[nH]1.
What is the InChIKey of 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine?
The InChIKey is LGEQVEGQZKPCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-2-9(14)5-10-6-12(17-16-10)11-4-3-8(13)7-15-11/h3-4,6-7,9H,2,5,14H2,1H3,(H,16,17).
What are the key properties of 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine?
1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine has a molecular weight of 234.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-5-yl]butan-2-amine is sourced from PubChem (CID 83128844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).