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

C11H10F3N3O — CID 43540061

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)(F)Oc1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)18-10-4-2-1-3-8(10)5-15-9-6-16-17-7-9/h1-4,6-7,15H,5H2,(H,16,17)
InChIKeyPFZJFYZVWBPOQK-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.92
Rot. Bonds4

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

N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine (PubChem CID 43540061) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
PubChem CID43540061
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)(F)Oc1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)18-10-4-2-1-3-8(10)5-15-9-6-16-17-7-9/h1-4,6-7,15H,5H2,(H,16,17)
InChIKeyPFZJFYZVWBPOQK-UHFFFAOYSA-N
XLogP2.92
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
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
1-(2,2-difluoroethyl)-N-(3-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247615
2-(1H-pyrazol-1-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide
CID 45505420
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 137991501
5-[2-(difluoromethoxy)phenyl]-1H-pyrazole
CID 22660758
1-{[4-(Trifluoromethoxy)phenyl]methyl}-1H-pyrazol-4-amine
CID 28373964
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
CID 68721540

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine (CID 43540061) is N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine is FC(F)(F)Oc1ccccc1CNc1cn[nH]c1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The InChIKey is PFZJFYZVWBPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)18-10-4-2-1-3-8(10)5-15-9-6-16-17-7-9/h1-4,6-7,15H,5H2,(H,16,17).
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine has a molecular weight of 257.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43540061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).