1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide

C13H17F3N4O — CID 138011803

IUPAC1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1
InChIInChI=1S/C13H17F3N4O/c1-2-20-4-9(3-19-20)10(21)18-7-11-5-12(11,8-17-6-11)13(14,15)16/h3-4,17H,2,5-8H2,1H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyWCJOVBGVXCEIPM-VXGBXAGGSA-N
MW302.30 g/mol
LogP1.17
Rot. Bonds4

About 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide (PubChem CID 138011803) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
PubChem CID138011803
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1
InChIInChI=1S/C13H17F3N4O/c1-2-20-4-9(3-19-20)10(21)18-7-11-5-12(11,8-17-6-11)13(14,15)16/h3-4,17H,2,5-8H2,1H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyWCJOVBGVXCEIPM-VXGBXAGGSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
CID 138011762
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
CID 138011796
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
3-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]imidazole-4-sulfonamide
CID 138006800
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
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-methylpyrazole-4-carboxamide
CID 114758126
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide (CID 138011803) is 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1.
What is the InChIKey of 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is WCJOVBGVXCEIPM-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-2-20-4-9(3-19-20)10(21)18-7-11-5-12(11,8-17-6-11)13(14,15)16/h3-4,17H,2,5-8H2,1H3,(H,18,21)/t11-,12-/m1/s1.
What are the key properties of 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 138011803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).