N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline

C13H16FN3 — CID 19619230

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
SMILESCCn1ccc(CNc2cc(F)ccc2C)n1
InChIInChI=1S/C13H16FN3/c1-3-17-7-6-12(16-17)9-15-13-8-11(14)5-4-10(13)2/h4-8,15H,3,9H2,1-2H3
InChIKeyDNNMYBLXVSATEJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.96
Rot. Bonds4

About N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline

N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline (PubChem CID 19619230) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
PubChem CID19619230
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
SMILESCCn1ccc(CNc2cc(F)ccc2C)n1
InChIInChI=1S/C13H16FN3/c1-3-17-7-6-12(16-17)9-15-13-8-11(14)5-4-10(13)2/h4-8,15H,3,9H2,1-2H3
InChIKeyDNNMYBLXVSATEJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122166579
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966462
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-5-amine
CID 122166580
5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088087
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
CID 131951543
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 105375458
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
2-bromo-5-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103750616

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline (CID 19619230) is N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline is CCn1ccc(CNc2cc(F)ccc2C)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is DNNMYBLXVSATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-17-7-6-12(16-17)9-15-13-8-11(14)5-4-10(13)2/h4-8,15H,3,9H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline?
N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 233.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 19619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).