N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine

C14H18FN3 — CID 105375094

IUPACN-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2cc(F)ccc2C)c1
InChIInChI=1S/C14H18FN3/c1-3-16-7-12-8-17-18(9-12)10-13-6-14(15)5-4-11(13)2/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyOWDSAOTUFPCBHS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.49
Rot. Bonds5

About N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 105375094) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID105375094
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2cc(F)ccc2C)c1
InChIInChI=1S/C14H18FN3/c1-3-16-7-12-8-17-18(9-12)10-13-6-14(15)5-4-11(13)2/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyOWDSAOTUFPCBHS-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62729753
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(5-fluoro-2-methylphenyl)methyl]urea
CID 166331306
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730305
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
N-[[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62731772
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
4-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]aniline
CID 105371546

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 105375094) is N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(Cc2cc(F)ccc2C)c1.
What is the InChIKey of N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is OWDSAOTUFPCBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-16-7-12-8-17-18(9-12)10-13-6-14(15)5-4-11(13)2/h4-6,8-9,16H,3,7,10H2,1-2H3.
What are the key properties of N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 105375094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).