7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C11H14ClN5O3 — CID 77087565

IUPAC7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3[nH]nc(N)c3Cl)C2)OC1=O
InChIInChI=1S/C11H14ClN5O3/c1-16-4-11(20-10(16)19)2-3-17(5-11)9(18)7-6(12)8(13)15-14-7/h2-5H2,1H3,(H3,13,14,15)
InChIKeyNAFFIMCKBURRNU-UHFFFAOYSA-N
MW299.72 g/mol
LogP0.31
Rot. Bonds1

About 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 77087565) has the molecular formula C11H14ClN5O3 and a molecular weight of 299.72 g/mol. Its IUPAC name is 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID77087565
Molecular FormulaC11H14ClN5O3
Molecular Weight299.72 g/mol
Exact Mass299.08
IUPAC Name7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3[nH]nc(N)c3Cl)C2)OC1=O
InChIInChI=1S/C11H14ClN5O3/c1-16-4-11(20-10(16)19)2-3-17(5-11)9(18)7-6(12)8(13)15-14-7/h2-5H2,1H3,(H3,13,14,15)
InChIKeyNAFFIMCKBURRNU-UHFFFAOYSA-N
XLogP0.31
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 77087565) is 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(C(=O)c3[nH]nc(N)c3Cl)C2)OC1=O.
What is the InChIKey of 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is NAFFIMCKBURRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O3/c1-16-4-11(20-10(16)19)2-3-17(5-11)9(18)7-6(12)8(13)15-14-7/h2-5H2,1H3,(H3,13,14,15).
What are the key properties of 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 299.72 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 77087565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).