N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

C8H12F3N3 — CID 56965581

IUPACN,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCN(CC)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H12F3N3/c1-3-14(4-2)7-5-6(12-13-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyVHQIGIUQNPMBIC-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.27
Rot. Bonds3

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

N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 56965581) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID56965581
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCN(CC)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H12F3N3/c1-3-14(4-2)7-5-6(12-13-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyVHQIGIUQNPMBIC-UHFFFAOYSA-N
XLogP2.27
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 56965581) is N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is CCN(CC)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is VHQIGIUQNPMBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-3-14(4-2)7-5-6(12-13-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 207.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 56965581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).