N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide

C12H18N4O2 — CID 66212899

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H18N4O2/c1-16-8(4-5-14-16)12(17)15-10-9(13)7-3-2-6-18-11(7)10/h4-5,7,9-11H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyVTYXLDWDEWFJGY-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.35
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 66212899) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
PubChem CID66212899
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H18N4O2/c1-16-8(4-5-14-16)12(17)15-10-9(13)7-3-2-6-18-11(7)10/h4-5,7,9-11H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyVTYXLDWDEWFJGY-UHFFFAOYSA-N
XLogP-0.35
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide (CID 66212899) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is VTYXLDWDEWFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-8(4-5-14-16)12(17)15-10-9(13)7-3-2-6-18-11(7)10/h4-5,7,9-11H,2-3,6,13H2,1H3,(H,15,17).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66212899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).