7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

C14H22N4O2 — CID 114946084

IUPAC7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCc1cc(NC(=O)C2(N)C3CCCOC3C2(C)C)n[nH]1
InChIInChI=1S/C14H22N4O2/c1-8-7-10(18-17-8)16-12(19)14(15)9-5-4-6-20-11(9)13(14,2)3/h7,9,11H,4-6,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyHKUFVLMDRGUTJB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.19
Rot. Bonds2

About 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114946084) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114946084
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCc1cc(NC(=O)C2(N)C3CCCOC3C2(C)C)n[nH]1
InChIInChI=1S/C14H22N4O2/c1-8-7-10(18-17-8)16-12(19)14(15)9-5-4-6-20-11(9)13(14,2)3/h7,9,11H,4-6,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyHKUFVLMDRGUTJB-UHFFFAOYSA-N
XLogP1.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

6-amino-7,7-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946605
7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945058
7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946068
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945769
7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106397626
1-amino-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 63820608
7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945528
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946248
7-amino-8,8-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946384

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114946084) is 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is Cc1cc(NC(=O)C2(N)C3CCCOC3C2(C)C)n[nH]1.
What is the InChIKey of 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is HKUFVLMDRGUTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-7-10(18-17-8)16-12(19)14(15)9-5-4-6-20-11(9)13(14,2)3/h7,9,11H,4-6,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114946084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).