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

C20H34F3N3 — CID 157474453

IUPACN-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine
SMILESCCCCCCCCCCNC(C)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C20H34F3N3/c1-3-4-5-6-7-8-9-10-13-24-16(2)15-26-18(17-11-12-17)14-19(25-26)20(21,22)23/h14,16-17,24H,3-13,15H2,1-2H3
InChIKeyDNKUMHTXMJYLGU-UHFFFAOYSA-N
MW373.51 g/mol
LogP5.90
Rot. Bonds13

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

N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine (PubChem CID 157474453) has the molecular formula C20H34F3N3 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine.

Molecular Properties

Compound NameN-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine
PubChem CID157474453
Molecular FormulaC20H34F3N3
Molecular Weight373.51 g/mol
Exact Mass373.27
IUPAC NameN-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine
SMILESCCCCCCCCCCNC(C)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C20H34F3N3/c1-3-4-5-6-7-8-9-10-13-24-16(2)15-26-18(17-11-12-17)14-19(25-26)20(21,22)23/h14,16-17,24H,3-13,15H2,1-2H3
InChIKeyDNKUMHTXMJYLGU-UHFFFAOYSA-N
XLogP5.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.51
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine?
The IUPAC name of N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine (CID 157474453) is N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine.
What is the SMILES notation for N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine?
The canonical SMILES for N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine is CCCCCCCCCCNC(C)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine?
The InChIKey is DNKUMHTXMJYLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F3N3/c1-3-4-5-6-7-8-9-10-13-24-16(2)15-26-18(17-11-12-17)14-19(25-26)20(21,22)23/h14,16-17,24H,3-13,15H2,1-2H3.
What are the key properties of N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine?
N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine has a molecular weight of 373.51 g/mol, XLogP of 5.90, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine is sourced from PubChem (CID 157474453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).