1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine

C11H10F3N3O — CID 54920777

IUPAC1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-6-5-10(15)16-17/h1-6H,7H2,(H2,15,16)
InChIKeySIKIKHWVJZISFJ-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.41
Rot. Bonds3

About 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine

1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine (PubChem CID 54920777) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
PubChem CID54920777
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-6-5-10(15)16-17/h1-6H,7H2,(H2,15,16)
InChIKeySIKIKHWVJZISFJ-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((3,4-dimethoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3154154
1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321
1-((4-methoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3161262
N-(1-benzylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 145973912
1-[(2,4-Dimethoxyphenyl)methyl]-1H-pyrazol-5-amine
CID 16227036
4-Methoxy-3-pyrazol-1-ylmethyl-benzylamine
CID 3157815
1-(4-Methoxy-benzyl)-3-methyl-1h-pyrazole
CID 21628284
1-((4-(trifluoromethoxy)phenyl)methyl)-1H-pyrazol-5-amine
CID 16783565
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
4-iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrazole
CID 57421936
1-(2,2-difluoroethyl)-N-(4-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247605

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine (CID 54920777) is 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine is Nc1ccn(Cc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The InChIKey is SIKIKHWVJZISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-6-5-10(15)16-17/h1-6H,7H2,(H2,15,16).
What are the key properties of 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine has a molecular weight of 257.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 54920777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).