9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

C16H25N5O2 — CID 56755130

IUPAC9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCc1[nH]nc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)c1C
InChIInChI=1S/C16H25N5O2/c1-4-12-11(2)13(19-18-12)14(22)21-8-5-16(6-9-21)15(23)17-7-10-20(16)3/h4-10H2,1-3H3,(H,17,23)(H,18,19)
InChIKeyCNNYXCOJUKWMAW-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.32
Rot. Bonds2

About 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 56755130) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID56755130
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCc1[nH]nc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)c1C
InChIInChI=1S/C16H25N5O2/c1-4-12-11(2)13(19-18-12)14(22)21-8-5-16(6-9-21)15(23)17-7-10-20(16)3/h4-10H2,1-3H3,(H,17,23)(H,18,19)
InChIKeyCNNYXCOJUKWMAW-UHFFFAOYSA-N
XLogP0.32
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinecarboxamide
CID 16189049
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72869349
2-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72912648
(4-Methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97367677
2,5-Dihydropyrrol-1-yl-[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388940
1-[3-(2,5-Dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97388943

Frequently Asked Questions

What is the IUPAC name of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 56755130) is 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is CCc1[nH]nc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)c1C.
What is the InChIKey of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is CNNYXCOJUKWMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-12-11(2)13(19-18-12)14(22)21-8-5-16(6-9-21)15(23)17-7-10-20(16)3/h4-10H2,1-3H3,(H,17,23)(H,18,19).
What are the key properties of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 319.41 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 56755130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).