N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

C6H8F3N3 — CID 66440243

IUPACN-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCNCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-10-2-4-3-11-12-5(4)6(7,8)9/h3,10H,2H2,1H3,(H,11,12)
InChIKeyANJUKUXRQKJUAJ-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.15
Rot. Bonds2

About N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 66440243) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
PubChem CID66440243
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCNCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-10-2-4-3-11-12-5(4)6(7,8)9/h3,10H,2H2,1H3,(H,11,12)
InChIKeyANJUKUXRQKJUAJ-UHFFFAOYSA-N
XLogP1.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (CID 66440243) is N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is CNCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is ANJUKUXRQKJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-10-2-4-3-11-12-5(4)6(7,8)9/h3,10H,2H2,1H3,(H,11,12).
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 179.14 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 66440243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).