N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine

C6H8F3N3 — CID 131121157

IUPACN,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCNc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C6H8F3N3/c1-10-5-3-4(6(7,8)9)12(2)11-5/h3H,1-2H3,(H,10,11)
InChIKeyDLBFHVPUNMFGPN-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.48
Rot. Bonds1

About N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine

N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 131121157) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID131121157
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC NameN,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCNc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C6H8F3N3/c1-10-5-3-4(6(7,8)9)12(2)11-5/h3H,1-2H3,(H,10,11)
InChIKeyDLBFHVPUNMFGPN-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine (CID 131121157) is N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine is CNc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is DLBFHVPUNMFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-10-5-3-4(6(7,8)9)12(2)11-5/h3H,1-2H3,(H,10,11).
What are the key properties of N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine?
N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 179.14 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 131121157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).