4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C15H23N5O2 — CID 97495690

IUPAC4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(C(=O)c3ccn[nH]3)CC2)C1=O
InChIInChI=1S/C15H23N5O2/c1-3-19-11-10-18(2)15(14(19)22)5-8-20(9-6-15)13(21)12-4-7-16-17-12/h4,7H,3,5-6,8-11H2,1-2H3,(H,16,17)
InChIKeySIRFUMYFLOYEAC-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.18
Rot. Bonds2

About 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495690) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495690
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(C(=O)c3ccn[nH]3)CC2)C1=O
InChIInChI=1S/C15H23N5O2/c1-3-19-11-10-18(2)15(14(19)22)5-8-20(9-6-15)13(21)12-4-7-16-17-12/h4,7H,3,5-6,8-11H2,1-2H3,(H,16,17)
InChIKeySIRFUMYFLOYEAC-UHFFFAOYSA-N
XLogP0.18
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155722
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 155858214
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131685889
(4R)-1-methyl-2-oxo-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97116763
2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 131688661
2-[1-methyl-5-oxo-9-(pyridazine-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]acetonitrile;2,2,2-trifluoroacetic acid
CID 155849836
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131688792

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495690) is 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCN(C)C2(CCN(C(=O)c3ccn[nH]3)CC2)C1=O.
What is the InChIKey of 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is SIRFUMYFLOYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-19-11-10-18(2)15(14(19)22)5-8-20(9-6-15)13(21)12-4-7-16-17-12/h4,7H,3,5-6,8-11H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 305.38 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).