5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride

C5H7ClF3N3 — CID 165431141

IUPAC5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCc1[nH]nc(C(F)(F)F)c1N.Cl
InChIInChI=1S/C5H6F3N3.ClH/c1-2-3(9)4(11-10-2)5(6,7)8;/h9H2,1H3,(H,10,11);1H
InChIKeyKYTTXTOIFOHEDD-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.74
Rot. Bonds

About 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride

5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride (PubChem CID 165431141) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
PubChem CID165431141
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCc1[nH]nc(C(F)(F)F)c1N.Cl
InChIInChI=1S/C5H6F3N3.ClH/c1-2-3(9)4(11-10-2)5(6,7)8;/h9H2,1H3,(H,10,11);1H
InChIKeyKYTTXTOIFOHEDD-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride (CID 165431141) is 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride is Cc1[nH]nc(C(F)(F)F)c1N.Cl.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is KYTTXTOIFOHEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.ClH/c1-2-3(9)4(11-10-2)5(6,7)8;/h9H2,1H3,(H,10,11);1H.
What are the key properties of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 165431141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).