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

C11H10F3N3 — CID 43540124

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)(F)c1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10-4-2-1-3-8(10)5-15-9-6-16-17-7-9/h1-4,6-7,15H,5H2,(H,16,17)
InChIKeyKIWQXZLQOWBBEW-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.04
Rot. Bonds3

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

N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine (PubChem CID 43540124) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
PubChem CID43540124
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)(F)c1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10-4-2-1-3-8(10)5-15-9-6-16-17-7-9/h1-4,6-7,15H,5H2,(H,16,17)
InChIKeyKIWQXZLQOWBBEW-UHFFFAOYSA-N
XLogP3.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine (CID 43540124) is N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine is FC(F)(F)c1ccccc1CNc1cn[nH]c1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
The InChIKey is KIWQXZLQOWBBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)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-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine has a molecular weight of 241.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43540124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).