2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine

C17H24FN3 — CID 64779066

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESCCC(C)n1ccc(CC(CN)Cc2cccc(F)c2)n1
InChIInChI=1S/C17H24FN3/c1-3-13(2)21-8-7-17(20-21)11-15(12-19)9-14-5-4-6-16(18)10-14/h4-8,10,13,15H,3,9,11-12,19H2,1-2H3
InChIKeyPWYAIOKQFNDMIZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.35
Rot. Bonds7

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine (PubChem CID 64779066) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
PubChem CID64779066
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESCCC(C)n1ccc(CC(CN)Cc2cccc(F)c2)n1
InChIInChI=1S/C17H24FN3/c1-3-13(2)21-8-7-17(20-21)11-15(12-19)9-14-5-4-6-16(18)10-14/h4-8,10,13,15H,3,9,11-12,19H2,1-2H3
InChIKeyPWYAIOKQFNDMIZ-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66057604
2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773193
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66072725
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol
CID 64783480
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine
CID 64779610
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441071
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine (CID 64779066) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine is CCC(C)n1ccc(CC(CN)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is PWYAIOKQFNDMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-13(2)21-8-7-17(20-21)11-15(12-19)9-14-5-4-6-16(18)10-14/h4-8,10,13,15H,3,9,11-12,19H2,1-2H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 64779066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).