N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine

C5H6F3N3 — CID 162544743

IUPACN-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESCNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-9-4-3(2-10-11-4)5(6,7)8/h2H,1H3,(H2,9,10,11)
InChIKeyQPCCXSBZZDRMIN-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.47
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine

N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine (PubChem CID 162544743) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
PubChem CID162544743
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC NameN-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESCNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-9-4-3(2-10-11-4)5(6,7)8/h2H,1H3,(H2,9,10,11)
InChIKeyQPCCXSBZZDRMIN-UHFFFAOYSA-N
XLogP1.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine (CID 162544743) is N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine is CNc1[nH]ncc1C(F)(F)F.
What is the InChIKey of N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is QPCCXSBZZDRMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-9-4-3(2-10-11-4)5(6,7)8/h2H,1H3,(H2,9,10,11).
What are the key properties of N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine has a molecular weight of 165.12 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 162544743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).