N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline

C14H16F3N3 — CID 103825746

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCC(C)n1cc(CNc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H16F3N3/c1-10(2)20-9-11(8-19-20)7-18-13-5-3-12(4-6-13)14(15,16)17/h3-6,8-10,18H,7H2,1-2H3
InChIKeyJMCKSRJXRLBZDL-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.09
Rot. Bonds4

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline

N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 103825746) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID103825746
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCC(C)n1cc(CNc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H16F3N3/c1-10(2)20-9-11(8-19-20)7-18-13-5-3-12(4-6-13)14(15,16)17/h3-6,8-10,18H,7H2,1-2H3
InChIKeyJMCKSRJXRLBZDL-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
ethyl 4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzoate
CID 106704320
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
1-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115697833
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 99834112

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline (CID 103825746) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline is CC(C)n1cc(CNc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is JMCKSRJXRLBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-10(2)20-9-11(8-19-20)7-18-13-5-3-12(4-6-13)14(15,16)17/h3-6,8-10,18H,7H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 283.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 103825746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).