2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine

C7H12FN3 — CID 84650571

IUPAC2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn(CC(F)CN)c1
InChIInChI=1S/C7H12FN3/c1-6-3-10-11(4-6)5-7(8)2-9/h3-4,7H,2,5,9H2,1H3
InChIKeyDVCZFSCVEVJLGR-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.49
Rot. Bonds3

About 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine

2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine (PubChem CID 84650571) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine
PubChem CID84650571
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn(CC(F)CN)c1
InChIInChI=1S/C7H12FN3/c1-6-3-10-11(4-6)5-7(8)2-9/h3-4,7H,2,5,9H2,1H3
InChIKeyDVCZFSCVEVJLGR-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((1-Methyl-1H-pyrazol-4-yl)methyl)piperazine
CID 7022272
1,4-Dimethylpyrazole
CID 136836
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-methyl-1H-pyrazole-4-carbonitrile
CID 12747521
1-ethyl-4-ethynyl-1H-pyrazole
CID 22042601
3-Iodo-1,4-dimethyl-1H-pyrazole
CID 57883344
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
3-(4-chloro-1H-pyrazol-1-yl)propan-1-amine
CID 19619542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine (CID 84650571) is 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine is Cc1cnn(CC(F)CN)c1.
What is the InChIKey of 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is DVCZFSCVEVJLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-6-3-10-11(4-6)5-7(8)2-9/h3-4,7H,2,5,9H2,1H3.
What are the key properties of 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine?
2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 157.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 84650571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).