N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline

C15H20FN3 — CID 79055004

IUPACN-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline
SMILESCCc1cc(CNc2cc(C)cc(F)c2)n(CC)n1
InChIInChI=1S/C15H20FN3/c1-4-13-9-15(19(5-2)18-13)10-17-14-7-11(3)6-12(16)8-14/h6-9,17H,4-5,10H2,1-3H3
InChIKeyRBANQBLRKCZSBP-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.53
Rot. Bonds5

About N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline

N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline (PubChem CID 79055004) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline
PubChem CID79055004
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline
SMILESCCc1cc(CNc2cc(C)cc(F)c2)n(CC)n1
InChIInChI=1S/C15H20FN3/c1-4-13-9-15(19(5-2)18-13)10-17-14-7-11(3)6-12(16)8-14/h6-9,17H,4-5,10H2,1-3H3
InChIKeyRBANQBLRKCZSBP-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]-2,5-difluoroaniline
CID 107610899
5-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]-2,4-difluoroaniline
CID 102853336
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-5-methylaniline
CID 79054436
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]butan-1-amine
CID 106844918
4-chloro-N-[(1,3-diethylpyrazol-5-yl)methyl]-2-iodoaniline
CID 107634866
1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66171847
3-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenol
CID 107679807
N-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83013960
N-[(1,3-diethylpyrazol-5-yl)methyl]-3-iodopropan-1-amine
CID 114503610
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline (CID 79055004) is N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline is CCc1cc(CNc2cc(C)cc(F)c2)n(CC)n1.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline?
The InChIKey is RBANQBLRKCZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-13-9-15(19(5-2)18-13)10-17-14-7-11(3)6-12(16)8-14/h6-9,17H,4-5,10H2,1-3H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline?
N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline has a molecular weight of 261.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 79055004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).