2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine

C7H12FN3 — CID 112562653

IUPAC2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(CC(F)CN)n1
InChIInChI=1S/C7H12FN3/c1-11-3-2-7(10-11)4-6(8)5-9/h2-3,6H,4-5,9H2,1H3
InChIKeyYACLPEWVJSUCNA-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.26
Rot. Bonds3

About 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine

2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 112562653) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID112562653
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(CC(F)CN)n1
InChIInChI=1S/C7H12FN3/c1-11-3-2-7(10-11)4-6(8)5-9/h2-3,6H,4-5,9H2,1H3
InChIKeyYACLPEWVJSUCNA-UHFFFAOYSA-N
XLogP0.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
1-(5-fluoro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870351
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82872011
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 112562653) is 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine is Cn1ccc(CC(F)CN)n1.
What is the InChIKey of 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is YACLPEWVJSUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-11-3-2-7(10-11)4-6(8)5-9/h2-3,6H,4-5,9H2,1H3.
What are the key properties of 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 157.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 112562653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).