(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide

C10H13N3O2 — CID 165119315

IUPAC(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1ccc(NC(=O)[C@@H]2[C@H]3CCO[C@H]32)n1
InChIInChI=1S/C10H13N3O2/c1-13-4-2-7(12-13)11-10(14)8-6-3-5-15-9(6)8/h2,4,6,8-9H,3,5H2,1H3,(H,11,12,14)/t6-,8-,9-/m1/s1
InChIKeyKFWPYUSKOQBCRA-FTLITQJKSA-N
MW207.23 g/mol
LogP0.39
Rot. Bonds2

About (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide

(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 165119315) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID165119315
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1ccc(NC(=O)[C@@H]2[C@H]3CCO[C@H]32)n1
InChIInChI=1S/C10H13N3O2/c1-13-4-2-7(12-13)11-10(14)8-6-3-5-15-9(6)8/h2,4,6,8-9H,3,5H2,1H3,(H,11,12,14)/t6-,8-,9-/m1/s1
InChIKeyKFWPYUSKOQBCRA-FTLITQJKSA-N
XLogP0.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
trans-(1S,3S)-3-[(1-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 129379175
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 18152716
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91830392
2-(3-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 49158091
2-cyclohexyl-N-(1-methylpyrazol-3-yl)acetamide
CID 51228914
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 165119315) is (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide is Cn1ccc(NC(=O)[C@@H]2[C@H]3CCO[C@H]32)n1.
What is the InChIKey of (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is KFWPYUSKOQBCRA-FTLITQJKSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13-4-2-7(12-13)11-10(14)8-6-3-5-15-9(6)8/h2,4,6,8-9H,3,5H2,1H3,(H,11,12,14)/t6-,8-,9-/m1/s1.
What are the key properties of (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 165119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).