1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide

C14H19F3N4O2 — CID 138011762

IUPAC1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1
InChIInChI=1S/C14H19F3N4O2/c1-23-3-2-21-5-10(4-20-21)11(22)19-8-12-6-13(12,9-18-7-12)14(15,16)17/h4-5,18H,2-3,6-9H2,1H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyXOBQHBMFWXVOFD-CHWSQXEVSA-N
MW332.33 g/mol
LogP0.80
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide

1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide (PubChem CID 138011762) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
PubChem CID138011762
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1
InChIInChI=1S/C14H19F3N4O2/c1-23-3-2-21-5-10(4-20-21)11(22)19-8-12-6-13(12,9-18-7-12)14(15,16)17/h4-5,18H,2-3,6-9H2,1H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyXOBQHBMFWXVOFD-CHWSQXEVSA-N
XLogP0.80
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
CID 138011837
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
CID 138011796
N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
CID 138011835
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrazol-4-yl]ethanone
CID 104649580
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
1-[(2-chlorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120888529
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288
phenyl 1-(2-methoxyethyl)pyrazole-4-carboxylate
CID 58592595
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide (CID 138011762) is 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide is COCCn1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is XOBQHBMFWXVOFD-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-23-3-2-21-5-10(4-20-21)11(22)19-8-12-6-13(12,9-18-7-12)14(15,16)17/h4-5,18H,2-3,6-9H2,1H3,(H,19,22)/t12-,13-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide?
1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 138011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).