5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine

C11H10F3N3 — CID 42873937

IUPAC5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C11H10F3N3/c1-6-9(15)10(17-16-6)7-2-4-8(5-3-7)11(12,13)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyKHOVFCZRCDQESQ-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.99
Rot. Bonds1

About 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine

5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine (PubChem CID 42873937) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
PubChem CID42873937
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C11H10F3N3/c1-6-9(15)10(17-16-6)7-2-4-8(5-3-7)11(12,13)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyKHOVFCZRCDQESQ-UHFFFAOYSA-N
XLogP2.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486720
3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82120366
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
3-(4-bromophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125455921
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 165431141
2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
CID 42686510
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
CID 141349982
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine (CID 42873937) is 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine is Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine?
The InChIKey is KHOVFCZRCDQESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-6-9(15)10(17-16-6)7-2-4-8(5-3-7)11(12,13)14/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine?
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine has a molecular weight of 241.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 42873937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).