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

C17H26N4O3 — CID 72892336

IUPAC2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cn1
InChIInChI=1S/C17H26N4O3/c1-19-12-14(11-18-19)16(24)20-8-5-17(6-9-20)4-3-15(23)21(13-17)7-2-10-22/h11-12,22H,2-10,13H2,1H3
InChIKeyHKRSTMKZYAWXRO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.65
Rot. Bonds4

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

2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72892336) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72892336
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cn1
InChIInChI=1S/C17H26N4O3/c1-19-12-14(11-18-19)16(24)20-8-5-17(6-9-20)4-3-15(23)21(13-17)7-2-10-22/h11-12,22H,2-10,13H2,1H3
InChIKeyHKRSTMKZYAWXRO-UHFFFAOYSA-N
XLogP0.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
(4aS*,8aS*)-2-(cyclobutylcarbonyl)-7-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72881861
2-(2-hydroxypropyl)-9-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894886
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
[3-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-9-(tetrahydro-2H-pyran-4-yl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74239848
[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72892336) is 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cn1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cn1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HKRSTMKZYAWXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-12-14(11-18-19)16(24)20-8-5-17(6-9-20)4-3-15(23)21(13-17)7-2-10-22/h11-12,22H,2-10,13H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-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, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-(1-methylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72892336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).