1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine

C10H15F3N6 — CID 159589251

IUPAC1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine
SMILESCC(C)n1ccc(N)n1.Nc1ccn(C(F)(F)F)n1
InChIInChI=1S/C6H11N3.C4H4F3N3/c1-5(2)9-4-3-6(7)8-9;5-4(6,7)10-2-1-3(8)9-10/h3-5H,1-2H3,(H2,7,8);1-2H,(H2,8,9)
InChIKeyMKAIMSKMSSUWSR-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.99
Rot. Bonds1

About 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine

1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine (PubChem CID 159589251) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine
PubChem CID159589251
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC Name1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine
SMILESCC(C)n1ccc(N)n1.Nc1ccn(C(F)(F)F)n1
InChIInChI=1S/C6H11N3.C4H4F3N3/c1-5(2)9-4-3-6(7)8-9;5-4(6,7)10-2-1-3(8)9-10/h3-5H,1-2H3,(H2,7,8);1-2H,(H2,8,9)
InChIKeyMKAIMSKMSSUWSR-UHFFFAOYSA-N
XLogP1.99
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine (CID 159589251) is 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine is CC(C)n1ccc(N)n1.Nc1ccn(C(F)(F)F)n1.
What is the InChIKey of 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is MKAIMSKMSSUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C4H4F3N3/c1-5(2)9-4-3-6(7)8-9;5-4(6,7)10-2-1-3(8)9-10/h3-5H,1-2H3,(H2,7,8);1-2H,(H2,8,9).
What are the key properties of 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine?
1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 276.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazol-3-amine;1-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 159589251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).