N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide

C12H18N4O2 — CID 66212696

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C(N)C3CCCOC32)n[nH]1
InChIInChI=1S/C12H18N4O2/c1-6-5-8(16-15-6)12(17)14-10-9(13)7-3-2-4-18-11(7)10/h5,7,9-11H,2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyLWBXPRYBMSDJHQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.05
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 66212696) 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)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID66212696
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C(N)C3CCCOC32)n[nH]1
InChIInChI=1S/C12H18N4O2/c1-6-5-8(16-15-6)12(17)14-10-9(13)7-3-2-4-18-11(7)10/h5,7,9-11H,2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyLWBXPRYBMSDJHQ-UHFFFAOYSA-N
XLogP-0.05
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 66212696) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2C(N)C3CCCOC32)n[nH]1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is LWBXPRYBMSDJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-6-5-8(16-15-6)12(17)14-10-9(13)7-3-2-4-18-11(7)10/h5,7,9-11H,2-4,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 66212696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).