4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H33N5O2 — CID 72883564

IUPAC4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(C)C2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C20H33N5O2/c1-6-25-17(13-16(21-25)15(2)3)19(27)24-12-11-23(5)20(14-24)8-7-18(26)22(4)10-9-20/h13,15H,6-12,14H2,1-5H3
InChIKeyVLUZINXISKTLDY-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.80
Rot. Bonds3

About 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72883564) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72883564
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(C)C2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C20H33N5O2/c1-6-25-17(13-16(21-25)15(2)3)19(27)24-12-11-23(5)20(14-24)8-7-18(26)22(4)10-9-20/h13,15H,6-12,14H2,1-5H3
InChIKeyVLUZINXISKTLDY-UHFFFAOYSA-N
XLogP1.80
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49778457
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46944163
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49792144
N-[(2S)-3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 156014475
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126736699
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 126736716
3-tert-butyl-N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 126736769
(3-Tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746450
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72883564) is 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCn1nc(C(C)C)cc1C(=O)N1CCN(C)C2(CCC(=O)N(C)CC2)C1.
What is the InChIKey of 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is VLUZINXISKTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-6-25-17(13-16(21-25)15(2)3)19(27)24-12-11-23(5)20(14-24)8-7-18(26)22(4)10-9-20/h13,15H,6-12,14H2,1-5H3.
What are the key properties of 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 375.52 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72883564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).