N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide

C12H15F3N4O2 — CID 19587970

IUPACN-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCNC(=O)C1CC1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-3-6-19(18-9)7-10(20)16-4-5-17-11(21)8-1-2-8/h3,6,8H,1-2,4-5,7H2,(H,16,20)(H,17,21)
InChIKeyLVWFLBVVFVWIEQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.54
Rot. Bonds6

About N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 19587970) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID19587970
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCNC(=O)C1CC1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-3-6-19(18-9)7-10(20)16-4-5-17-11(21)8-1-2-8/h3,6,8H,1-2,4-5,7H2,(H,16,20)(H,17,21)
InChIKeyLVWFLBVVFVWIEQ-UHFFFAOYSA-N
XLogP0.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide (CID 19587970) is N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide is O=C(Cn1ccc(C(F)(F)F)n1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is LVWFLBVVFVWIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)9-3-6-19(18-9)7-10(20)16-4-5-17-11(21)8-1-2-8/h3,6,8H,1-2,4-5,7H2,(H,16,20)(H,17,21).
What are the key properties of N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 19587970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).