1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine

C10H14F3N3 — CID 19620826

IUPAC1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
SMILESCC(N)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3/c1-6(14)5-16-8(7-2-3-7)4-9(15-16)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3
InChIKeyISBCYEZDLMJMOD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.13
Rot. Bonds3

About 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine

1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine (PubChem CID 19620826) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
PubChem CID19620826
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
SMILESCC(N)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3/c1-6(14)5-16-8(7-2-3-7)4-9(15-16)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3
InChIKeyISBCYEZDLMJMOD-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine (CID 19620826) is 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine is CC(N)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is ISBCYEZDLMJMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(14)5-16-8(7-2-3-7)4-9(15-16)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3.
What are the key properties of 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine?
1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 19620826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).