10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H33N5O2 — CID 72927066

IUPAC10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCc1cc(C(=O)N2CCN(C)C3(CCC(=O)N(CC)CC3)C2)n(C)n1
InChIInChI=1S/C20H33N5O2/c1-5-7-16-14-17(23(4)21-16)19(27)25-13-12-22(3)20(15-25)9-8-18(26)24(6-2)11-10-20/h14H,5-13,15H2,1-4H3
InChIKeyJVCOWMPGKZUUKI-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.53
Rot. Bonds4

About 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72927066) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72927066
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCc1cc(C(=O)N2CCN(C)C3(CCC(=O)N(CC)CC3)C2)n(C)n1
InChIInChI=1S/C20H33N5O2/c1-5-7-16-14-17(23(4)21-16)19(27)25-13-12-22(3)20(15-25)9-8-18(26)24(6-2)11-10-20/h14H,5-13,15H2,1-4H3
InChIKeyJVCOWMPGKZUUKI-UHFFFAOYSA-N
XLogP1.53
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
CID 45827281
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72927066) is 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CCCc1cc(C(=O)N2CCN(C)C3(CCC(=O)N(CC)CC3)C2)n(C)n1.
What is the InChIKey of 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is JVCOWMPGKZUUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-7-16-14-17(23(4)21-16)19(27)25-13-12-22(3)20(15-25)9-8-18(26)24(6-2)11-10-20/h14H,5-13,15H2,1-4H3.
What are the key properties of 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 375.52 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72927066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).