2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine

C13H16FN3 — CID 105492833

IUPAC2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-10(9-15-2)13-7-8-16-17(13)12-5-3-11(14)4-6-12/h3-8,10,15H,9H2,1-2H3
InChIKeyQWNABPQKZNRFKF-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.33
Rot. Bonds4

About 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine

2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine (PubChem CID 105492833) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine
PubChem CID105492833
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-10(9-15-2)13-7-8-16-17(13)12-5-3-11(14)4-6-12/h3-8,10,15H,9H2,1-2H3
InChIKeyQWNABPQKZNRFKF-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439687
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one
CID 157373271
N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107331506
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130
2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
CID 119748794
1-(1H-imidazol-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330786
2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105498249
2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine (CID 105492833) is 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine is CNCC(C)c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine?
The InChIKey is QWNABPQKZNRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(9-15-2)13-7-8-16-17(13)12-5-3-11(14)4-6-12/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine?
2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 105492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).