(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one

C12H17N3O — CID 125454017

IUPAC(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
SMILESCCn1nccc1[C@H]1CNC(=O)C12CCC2
InChIInChI=1S/C12H17N3O/c1-2-15-10(4-7-14-15)9-8-13-11(16)12(9)5-3-6-12/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16)/t9-/m1/s1
InChIKeyWJGLWQKFBFQYEL-SECBINFHSA-N
MW219.29 g/mol
LogP1.29
Rot. Bonds2

About (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one

(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one (PubChem CID 125454017) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
PubChem CID125454017
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
SMILESCCn1nccc1[C@H]1CNC(=O)C12CCC2
InChIInChI=1S/C12H17N3O/c1-2-15-10(4-7-14-15)9-8-13-11(16)12(9)5-3-6-12/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16)/t9-/m1/s1
InChIKeyWJGLWQKFBFQYEL-SECBINFHSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 35520943
N-[(2-ethylpyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 35520996
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72867210
(3R*,5R*)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72941156
4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 75356274
4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 121599781
rac-(3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124679564
4-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 130876962
1-methyl-3-(2-methylpyrazol-3-yl)-N-(2-sulfanylethyl)piperidine-4-carboxamide
CID 177680231
(3R*,4S*)-4-cyclopropyl-1-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]pyrrolidin-3-amine
CID 72879690
3-(1-methyl-1H-pyrazol-5-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 74239540
3-(1-methyl-1H-pyrazol-5-yl)-N-{2-[(2S)-pyrrolidin-2-yl]ethyl}propanamide
CID 74239729

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one?
The IUPAC name of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one (CID 125454017) is (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one is CCn1nccc1[C@H]1CNC(=O)C12CCC2.
What is the InChIKey of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one?
The InChIKey is WJGLWQKFBFQYEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15-10(4-7-14-15)9-8-13-11(16)12(9)5-3-6-12/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one?
(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one has a molecular weight of 219.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 125454017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).