1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine

C14H17F3N4 — CID 58007521

IUPAC1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine
SMILESCCn1cc(NCCc2ccc(C(F)(F)F)nc2)c(C)n1
InChIInChI=1S/C14H17F3N4/c1-3-21-9-12(10(2)20-21)18-7-6-11-4-5-13(19-8-11)14(15,16)17/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKeyYMQAYDCULNEENA-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.28
Rot. Bonds5

About 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine

1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine (PubChem CID 58007521) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine
PubChem CID58007521
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine
SMILESCCn1cc(NCCc2ccc(C(F)(F)F)nc2)c(C)n1
InChIInChI=1S/C14H17F3N4/c1-3-21-9-12(10(2)20-21)18-7-6-11-4-5-13(19-8-11)14(15,16)17/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKeyYMQAYDCULNEENA-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine (CID 58007521) is 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine is CCn1cc(NCCc2ccc(C(F)(F)F)nc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine?
The InChIKey is YMQAYDCULNEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-3-21-9-12(10(2)20-21)18-7-6-11-4-5-13(19-8-11)14(15,16)17/h4-5,8-9,18H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine?
1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine has a molecular weight of 298.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 58007521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).