2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine

C16H22FN3 — CID 103014372

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCNCC(CCc1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-18-12-14(6-7-16-8-9-19-20(16)2)10-13-4-3-5-15(17)11-13/h3-5,8-9,11,14,18H,6-7,10,12H2,1-2H3
InChIKeyFBTYFDMEAHXFGN-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.57
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine

2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103014372) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID103014372
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCNCC(CCc1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-18-12-14(6-7-16-8-9-19-20(16)2)10-13-4-3-5-15(17)11-13/h3-5,8-9,11,14,18H,6-7,10,12H2,1-2H3
InChIKeyFBTYFDMEAHXFGN-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531376
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
[1-(3,5-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026693
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine (CID 103014372) is 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine is CNCC(CCc1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is FBTYFDMEAHXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-18-12-14(6-7-16-8-9-19-20(16)2)10-13-4-3-5-15(17)11-13/h3-5,8-9,11,14,18H,6-7,10,12H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103014372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).