2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide

C12H15F3N4O — CID 138011796

IUPAC2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
SMILESO=C(Cn1cccn1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-5-10(11,6-16-8-11)7-17-9(20)4-19-3-1-2-18-19/h1-3,16H,4-8H2,(H,17,20)/t10-,11-/m0/s1
InChIKeyQPZWPQAFNIVNAV-QWRGUYRKSA-N
MW288.27 g/mol
LogP0.54
Rot. Bonds4

About 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide

2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide (PubChem CID 138011796) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
PubChem CID138011796
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
SMILESO=C(Cn1cccn1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-5-10(11,6-16-8-11)7-17-9(20)4-19-3-1-2-18-19/h1-3,16H,4-8H2,(H,17,20)/t10-,11-/m0/s1
InChIKeyQPZWPQAFNIVNAV-QWRGUYRKSA-N
XLogP0.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
CID 138011803
N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 113400450
2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 81165316
N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
CID 104857616
N-[(2-methylpyrrolidin-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 114761752
1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine
CID 167804390
3-hydroxy-3-propan-2-yl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]azetidine-1-carboxamide
CID 138016703
N-(2-piperidin-4-yloxyethyl)-2-pyrazol-1-ylacetamide
CID 63869419
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 107302127
N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide (CID 138011796) is 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide is O=C(Cn1cccn1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2.
What is the InChIKey of 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide?
The InChIKey is QPZWPQAFNIVNAV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-5-10(11,6-16-8-11)7-17-9(20)4-19-3-1-2-18-19/h1-3,16H,4-8H2,(H,17,20)/t10-,11-/m0/s1.
What are the key properties of 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide?
2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide is sourced from PubChem (CID 138011796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).