1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine

C12H12F3N3O — CID 43534982

IUPAC1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCn1cc(NCc2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3O/c1-18-8-10(7-17-18)16-6-9-4-2-3-5-11(9)19-12(13,14)15/h2-5,7-8,16H,6H2,1H3
InChIKeySWALAQBRHWJHHA-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.93
Rot. Bonds4

About 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine

1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (PubChem CID 43534982) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
PubChem CID43534982
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCn1cc(NCc2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3O/c1-18-8-10(7-17-18)16-6-9-4-2-3-5-11(9)19-12(13,14)15/h2-5,7-8,16H,6H2,1H3
InChIKeySWALAQBRHWJHHA-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxybenzyl N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 5124247
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
4-Methoxy-3-pyrazol-1-ylmethyl-benzylamine
CID 3157815
1-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-3-[2-(trifluoromethoxy) benzyl]urea
CID 117967938
US11026923, Example 63
CID 155773329
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
1-(2,2-difluoroethyl)-N-[4-methoxy-3-(methoxymethyl)benzyl]-1H-pyrazol-4-amine
CID 25247565
1-(2,2-difluoroethyl)-N-(4-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247605
1-(2,2-difluoroethyl)-N-(2-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247606

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (CID 43534982) is 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is Cn1cc(NCc2ccccc2OC(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The InChIKey is SWALAQBRHWJHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18-8-10(7-17-18)16-6-9-4-2-3-5-11(9)19-12(13,14)15/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine has a molecular weight of 271.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 43534982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).