3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide

C11H14N4O3 — CID 135374315

IUPAC3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1nn(C2CC3C(C2)C3C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-5-9(15(17)18)4-14(13-5)6-2-7-8(3-6)10(7)11(12)16/h4,6-8,10H,2-3H2,1H3,(H2,12,16)
InChIKeyGMSOZRMHDHXJES-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.78
Rot. Bonds3

About 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide

3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 135374315) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID135374315
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1nn(C2CC3C(C2)C3C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-5-9(15(17)18)4-14(13-5)6-2-7-8(3-6)10(7)11(12)16/h4,6-8,10H,2-3H2,1H3,(H2,12,16)
InChIKeyGMSOZRMHDHXJES-UHFFFAOYSA-N
XLogP0.78
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 135374406
1-[3-(difluoromethoxy)cyclobutyl]-3-methyl-4-nitropyrazole
CID 135374492
4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 172561235
3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]-4-nitropyrazole
CID 155280262
1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine
CID 155280199
3-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 122638755
4-nitro-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 90424390
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018442
N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19621086
3-methyl-1-(2-methylprop-2-enyl)-4-nitropyrazole
CID 130657515
1-[4-[3-(2-hydroxypropan-2-yl)-4-nitropyrazol-1-yl]cyclohexyl]ethanone
CID 170367480

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 135374315) is 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide is Cc1nn(C2CC3C(C2)C3C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is GMSOZRMHDHXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-5-9(15(17)18)4-14(13-5)6-2-7-8(3-6)10(7)11(12)16/h4,6-8,10H,2-3H2,1H3,(H2,12,16).
What are the key properties of 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide?
3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 135374315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).