N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine

C11H11F3N4 — CID 175103216

IUPACN-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
SMILESCNc1cnn(Cc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H11F3N4/c1-15-9-5-17-18(7-9)6-8-2-3-16-10(4-8)11(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyFNRWIFIQPMVEKK-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine

N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine (PubChem CID 175103216) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
PubChem CID175103216
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
SMILESCNc1cnn(Cc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H11F3N4/c1-15-9-5-17-18(7-9)6-8-2-3-16-10(4-8)11(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyFNRWIFIQPMVEKK-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine?
The IUPAC name of N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine (CID 175103216) is N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine.
What is the SMILES notation for N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine?
The canonical SMILES for N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine is CNc1cnn(Cc2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine?
The InChIKey is FNRWIFIQPMVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-15-9-5-17-18(7-9)6-8-2-3-16-10(4-8)11(12,13)14/h2-5,7,15H,6H2,1H3.
What are the key properties of N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine?
N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine has a molecular weight of 256.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 175103216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).