1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine

C10H9F3N4 — CID 176658803

IUPAC1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N4/c1-6-2-3-8(15-4-6)17-9(10(11,12)13)7(14)5-16-17/h2-5H,14H2,1H3
InChIKeyBOZOTWVDQCSXED-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.18
Rot. Bonds1

About 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine

1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 176658803) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID176658803
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N4/c1-6-2-3-8(15-4-6)17-9(10(11,12)13)7(14)5-16-17/h2-5H,14H2,1H3
InChIKeyBOZOTWVDQCSXED-UHFFFAOYSA-N
XLogP2.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine (CID 176658803) is 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine is Cc1ccc(-n2ncc(N)c2C(F)(F)F)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is BOZOTWVDQCSXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-6-2-3-8(15-4-6)17-9(10(11,12)13)7(14)5-16-17/h2-5H,14H2,1H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 242.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 176658803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).