9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C19H28N4O2 — CID 72921969

IUPAC9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)C(C)n1cc(C)cn1)CC2
InChIInChI=1S/C19H28N4O2/c1-4-9-22-14-19(6-5-17(22)24)7-10-21(11-8-19)18(25)16(3)23-13-15(2)12-20-23/h4,12-13,16H,1,5-11,14H2,2-3H3
InChIKeyVFNZDBOSKPXIPK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.17
Rot. Bonds4

About 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72921969) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72921969
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)C(C)n1cc(C)cn1)CC2
InChIInChI=1S/C19H28N4O2/c1-4-9-22-14-19(6-5-17(22)24)7-10-21(11-8-19)18(25)16(3)23-13-15(2)12-20-23/h4,12-13,16H,1,5-11,14H2,2-3H3
InChIKeyVFNZDBOSKPXIPK-UHFFFAOYSA-N
XLogP2.17
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-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-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882763
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70740860
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
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
1-[(1-ethyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72918909
2-(3-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72921836
1-[(1-isopropyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72925091
2-(2-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72936390
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56884099

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72921969) is 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C(=O)C(C)n1cc(C)cn1)CC2.
What is the InChIKey of 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VFNZDBOSKPXIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-9-22-14-19(6-5-17(22)24)7-10-21(11-8-19)18(25)16(3)23-13-15(2)12-20-23/h4,12-13,16H,1,5-11,14H2,2-3H3.
What are the key properties of 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methylpyrazol-1-yl)propanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72921969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).