(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C14H22N4O2 — CID 86294449

IUPAC(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1nccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C14H22N4O2/c1-14(2,8-20-11-4-5-16-18(11)3)17-13(19)12-9-6-15-7-10(9)12/h4-5,9-10,12,15H,6-8H2,1-3H3,(H,17,19)/t9-,10+,12?
InChIKeyDLWFPOLJAGXZTP-DHHPTOIESA-N
MW278.36 g/mol
LogP0.16
Rot. Bonds5

About (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294449) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294449
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1nccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C14H22N4O2/c1-14(2,8-20-11-4-5-16-18(11)3)17-13(19)12-9-6-15-7-10(9)12/h4-5,9-10,12,15H,6-8H2,1-3H3,(H,17,19)/t9-,10+,12?
InChIKeyDLWFPOLJAGXZTP-DHHPTOIESA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5R)-N-[2-methyl-1-[(2-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294249
(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 144745325
(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294066
(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294246
(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121419230
(1R,5S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294248
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 167524503
2-(2-methylpyrazol-3-yl)oxyacetic acid
CID 84650313
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123344093
(1S,5R)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294657

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294449) is (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cn1nccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is DLWFPOLJAGXZTP-DHHPTOIESA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,8-20-11-4-5-16-18(11)3)17-13(19)12-9-6-15-7-10(9)12/h4-5,9-10,12,15H,6-8H2,1-3H3,(H,17,19)/t9-,10+,12?.
What are the key properties of (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).