3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C11H14F3N5 — CID 19614643

IUPAC3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCn1cc(-c2cc(C(F)(F)F)n(CCCN)n2)cn1
InChIInChI=1S/C11H14F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)19(17-9)4-2-3-15/h5-7H,2-4,15H2,1H3
InChIKeyKUIDMQBUDJMMNT-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.65
Rot. Bonds4

About 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 19614643) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID19614643
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCn1cc(-c2cc(C(F)(F)F)n(CCCN)n2)cn1
InChIInChI=1S/C11H14F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)19(17-9)4-2-3-15/h5-7H,2-4,15H2,1H3
InChIKeyKUIDMQBUDJMMNT-UHFFFAOYSA-N
XLogP1.65
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 19614643) is 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is Cn1cc(-c2cc(C(F)(F)F)n(CCCN)n2)cn1.
What is the InChIKey of 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is KUIDMQBUDJMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)19(17-9)4-2-3-15/h5-7H,2-4,15H2,1H3.
What are the key properties of 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 273.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 19614643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).