N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine

C6H8F3N3 — CID 123472858

IUPACN,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-12(2)5-4(3-10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKeyBTSAIZDXYYACKC-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.49
Rot. Bonds1

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

N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine (PubChem CID 123472858) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
PubChem CID123472858
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-12(2)5-4(3-10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKeyBTSAIZDXYYACKC-UHFFFAOYSA-N
XLogP1.49
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine (CID 123472858) is N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine is CN(C)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is BTSAIZDXYYACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-12(2)5-4(3-10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11).
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine has a molecular weight of 179.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 123472858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).