1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

C17H27N5O2 — CID 131688792

IUPAC1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCCN(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C17H27N5O2/c1-20(2)12-13-22-15(23)4-7-17(22)6-3-10-21(11-8-17)16(24)14-5-9-18-19-14/h5,9H,3-4,6-8,10-13H2,1-2H3,(H,18,19)
InChIKeySYCOORBKWOIAOE-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.96
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131688792) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131688792
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCCN(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C17H27N5O2/c1-20(2)12-13-22-15(23)4-7-17(22)6-3-10-21(11-8-17)16(24)14-5-9-18-19-14/h5,9H,3-4,6-8,10-13H2,1-2H3,(H,18,19)
InChIKeySYCOORBKWOIAOE-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

1-[2-(dimethylamino)ethyl]-9-(1H-pyrrole-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869854
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131684632
[(4aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 124801162
1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131684386
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134076661
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131687181
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495690

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131688792) is 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is CN(C)CCN1C(=O)CCC12CCCN(C(=O)c1ccn[nH]1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is SYCOORBKWOIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)12-13-22-15(23)4-7-17(22)6-3-10-21(11-8-17)16(24)14-5-9-18-19-14/h5,9H,3-4,6-8,10-13H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]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]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131688792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).