2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide

C12H16F3N3O2 — CID 126820302

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O2/c1-6-9(7(2)18-17-6)3-10(19)16-8-4-11(20,5-8)12(13,14)15/h8,20H,3-5H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKSGMRKNEBHEFKK-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.14
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide (PubChem CID 126820302) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide
PubChem CID126820302
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O2/c1-6-9(7(2)18-17-6)3-10(19)16-8-4-11(20,5-8)12(13,14)15/h8,20H,3-5H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKSGMRKNEBHEFKK-UHFFFAOYSA-N
XLogP1.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide (CID 126820302) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide?
The InChIKey is KSGMRKNEBHEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-6-9(7(2)18-17-6)3-10(19)16-8-4-11(20,5-8)12(13,14)15/h8,20H,3-5H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide is sourced from PubChem (CID 126820302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).