N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline

C13H14F3N3 — CID 19619290

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCCn1nccc1CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-2-19-12(7-8-18-19)9-17-11-5-3-10(4-6-11)13(14,15)16/h3-8,17H,2,9H2,1H3
InChIKeyWABNVUQBVBHBGG-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.53
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline

N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 19619290) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID19619290
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCCn1nccc1CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-2-19-12(7-8-18-19)9-17-11-5-3-10(4-6-11)13(14,15)16/h3-8,17H,2,9H2,1H3
InChIKeyWABNVUQBVBHBGG-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336102
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline (CID 19619290) is N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline is CCn1nccc1CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is WABNVUQBVBHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-19-12(7-8-18-19)9-17-11-5-3-10(4-6-11)13(14,15)16/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline?
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 269.27 g/mol, XLogP of 3.53, 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-(trifluoromethyl)aniline is sourced from PubChem (CID 19619290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).