2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H26N4O3 — CID 72894886

IUPAC2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C17H26N4O3/c1-13(22)10-21-12-17(4-3-15(21)23)5-7-20(8-6-17)16(24)14-9-18-19(2)11-14/h9,11,13,22H,3-8,10,12H2,1-2H3
InChIKeyHYHQQUJBDMHWRW-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.65
Rot. Bonds3

About 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72894886) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72894886
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C17H26N4O3/c1-13(22)10-21-12-17(4-3-15(21)23)5-7-20(8-6-17)16(24)14-9-18-19(2)11-14/h9,11,13,22H,3-8,10,12H2,1-2H3
InChIKeyHYHQQUJBDMHWRW-UHFFFAOYSA-N
XLogP0.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
2-(3-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72921836
(4aS*,8aS*)-2-(cyclopentylcarbonyl)-7-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72923731
2-(2-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72936390
2-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72839161
2-{9-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undec-2-yl}propanoic acid
CID 72916536
[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385
2-(2-methoxyethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
9-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932265
(6R)-8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404314
(5S)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156475

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72894886) is 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CC2(CCC1=O)CCN(C(=O)c1cnn(C)c1)CC2.
What is the InChIKey of 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HYHQQUJBDMHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(22)10-21-12-17(4-3-15(21)23)5-7-20(8-6-17)16(24)14-9-18-19(2)11-14/h9,11,13,22H,3-8,10,12H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72894886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).