N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide

C13H17F3N4O2 — CID 87984921

IUPACN-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide
SMILESCCCC(=O)NC1CC(c2cc(NC(=O)C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C13H17F3N4O2/c1-2-3-11(21)17-8-4-7(5-8)9-6-10(20-19-9)18-12(22)13(14,15)16/h6-8H,2-5H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyXZGUEJTUCYEVHI-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.07
Rot. Bonds5

About N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide

N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide (PubChem CID 87984921) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide.

Molecular Properties

Compound NameN-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide
PubChem CID87984921
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide
SMILESCCCC(=O)NC1CC(c2cc(NC(=O)C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C13H17F3N4O2/c1-2-3-11(21)17-8-4-7(5-8)9-6-10(20-19-9)18-12(22)13(14,15)16/h6-8H,2-5H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyXZGUEJTUCYEVHI-UHFFFAOYSA-N
XLogP2.07
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide?
The IUPAC name of N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide (CID 87984921) is N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide.
What is the SMILES notation for N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide?
The canonical SMILES for N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide is CCCC(=O)NC1CC(c2cc(NC(=O)C(F)(F)F)n[nH]2)C1.
What is the InChIKey of N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide?
The InChIKey is XZGUEJTUCYEVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-2-3-11(21)17-8-4-7(5-8)9-6-10(20-19-9)18-12(22)13(14,15)16/h6-8H,2-5H2,1H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide?
N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide has a molecular weight of 318.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide is sourced from PubChem (CID 87984921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).