1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine

C14H16F3N3O — CID 28664405

IUPAC1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-9-13(10(2)20(3)19-9)18-8-11-6-4-5-7-12(11)21-14(15,16)17/h4-7,18H,8H2,1-3H3
InChIKeyJTTPJGZVJRNZLP-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.55
Rot. Bonds4

About 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine

1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (PubChem CID 28664405) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
PubChem CID28664405
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-9-13(10(2)20(3)19-9)18-8-11-6-4-5-7-12(11)21-14(15,16)17/h4-7,18H,8H2,1-3H3
InChIKeyJTTPJGZVJRNZLP-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768834
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46995075
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (CID 28664405) is 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The InChIKey is JTTPJGZVJRNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9-13(10(2)20(3)19-9)18-8-11-6-4-5-7-12(11)21-14(15,16)17/h4-7,18H,8H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 28664405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).