3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine

C10H14F3N3 — CID 19614695

IUPAC3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine
SMILESNCCCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-7-3-1-4-8(7)16(15-9)6-2-5-14/h1-6,14H2
InChIKeyBXAYVYJFTNNLAZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.74
Rot. Bonds3

About 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine

3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine (PubChem CID 19614695) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine
PubChem CID19614695
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine
SMILESNCCCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-7-3-1-4-8(7)16(15-9)6-2-5-14/h1-6,14H2
InChIKeyBXAYVYJFTNNLAZ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine (CID 19614695) is 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine is NCCCn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine?
The InChIKey is BXAYVYJFTNNLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-7-3-1-4-8(7)16(15-9)6-2-5-14/h1-6,14H2.
What are the key properties of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine?
3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 19614695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).