1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one

C15H18FN3O — CID 62643371

IUPAC1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(F)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H18FN3O/c1-18(10-12-9-17-19(2)11-12)7-6-15(20)13-4-3-5-14(16)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyGGRZDUQJQNXYOP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.26
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one

1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one (PubChem CID 62643371) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
PubChem CID62643371
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(F)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H18FN3O/c1-18(10-12-9-17-19(2)11-12)7-6-15(20)13-4-3-5-14(16)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyGGRZDUQJQNXYOP-UHFFFAOYSA-N
XLogP2.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
5-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoic acid
CID 61442384

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one (CID 62643371) is 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one is CN(CCC(=O)c1cccc(F)c1)Cc1cnn(C)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
The InChIKey is GGRZDUQJQNXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-18(10-12-9-17-19(2)11-12)7-6-15(20)13-4-3-5-14(16)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one has a molecular weight of 275.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 62643371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).