N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline

C13H16FN3 — CID 115777063

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
SMILESCCn1nccc1CNc1ccc(F)c(C)c1
InChIInChI=1S/C13H16FN3/c1-3-17-12(6-7-16-17)9-15-11-4-5-13(14)10(2)8-11/h4-8,15H,3,9H2,1-2H3
InChIKeyOCWAJQQPYYIDPQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.96
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline

N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline (PubChem CID 115777063) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
PubChem CID115777063
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
SMILESCCn1nccc1CNc1ccc(F)c(C)c1
InChIInChI=1S/C13H16FN3/c1-3-17-12(6-7-16-17)9-15-11-4-5-13(14)10(2)8-11/h4-8,15H,3,9H2,1-2H3
InChIKeyOCWAJQQPYYIDPQ-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-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
CID 115761962
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336102
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079
5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid
CID 19624676
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline (CID 115777063) is N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline is CCn1nccc1CNc1ccc(F)c(C)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline?
The InChIKey is OCWAJQQPYYIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-17-12(6-7-16-17)9-15-11-4-5-13(14)10(2)8-11/h4-8,15H,3,9H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline?
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-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-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 115777063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).