1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C17H27N5O2 — CID 118744595

IUPAC1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN(C)CCN1C(=O)CCCC12CCCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C17H27N5O2/c1-20(2)11-12-22-15(23)5-3-7-17(22)8-4-10-21(13-17)16(24)14-6-9-18-19-14/h6,9H,3-5,7-8,10-13H2,1-2H3,(H,18,19)
InChIKeyACHJDQXKKTVALL-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.96
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118744595) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118744595
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN(C)CCN1C(=O)CCCC12CCCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C17H27N5O2/c1-20(2)11-12-22-15(23)5-3-7-17(22)8-4-10-21(13-17)16(24)14-6-9-18-19-14/h6,9H,3-5,7-8,10-13H2,1-2H3,(H,18,19)
InChIKeyACHJDQXKKTVALL-UHFFFAOYSA-N
XLogP0.96
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 580065
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 162479487
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109
2-butyl-8-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
CID 72844130
(6S)-2-(3-methylbutyl)-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404159
1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 118744594
(4aR,8aS)-1-(3-methylbutyl)-6-(1H-pyrazole-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164631147
(4aR,8aS)-1-(2-methylpropyl)-6-(1H-pyrazole-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164639254
(4aR,8aS)-1-propyl-6-(1H-pyrazole-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164641531
N-Methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-pyrazole-3-carboxamide
CID 686755
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 1204953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 118744595) is 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CN(C)CCN1C(=O)CCCC12CCCN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is ACHJDQXKKTVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)11-12-22-15(23)5-3-7-17(22)8-4-10-21(13-17)16(24)14-6-9-18-19-14/h6,9H,3-5,7-8,10-13H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 333.44 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 118744595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).