1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C17H24FN3 — CID 103030116

IUPAC1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1ccc(C)cc1F
InChIInChI=1S/C17H24FN3/c1-4-9-19-17(8-6-14-11-20-21(3)12-14)15-7-5-13(2)10-16(15)18/h5,7,10-12,17,19H,4,6,8-9H2,1-3H3
InChIKeyZRGPRUJITFXQHL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.54
Rot. Bonds7

About 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103030116) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103030116
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1ccc(C)cc1F
InChIInChI=1S/C17H24FN3/c1-4-9-19-17(8-6-14-11-20-21(3)12-14)15-7-5-13(2)10-16(15)18/h5,7,10-12,17,19H,4,6,8-9H2,1-3H3
InChIKeyZRGPRUJITFXQHL-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
Fezolamine
CID 54567
2-Isopropyl-3-p-tolyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11323169
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
CID 5200398
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
3-(4-Fluoro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11391654
2-Isopropyl-3-(4-trifluoromethyl-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11393128
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103030116) is 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is ZRGPRUJITFXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-9-19-17(8-6-14-11-20-21(3)12-14)15-7-5-13(2)10-16(15)18/h5,7,10-12,17,19H,4,6,8-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).