10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H33N5O — CID 70775064

IUPAC10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCn1cc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)cn1
InChIInChI=1S/C20H33N5O/c1-3-25-15-18(12-21-25)13-23-11-10-22(2)20(16-23)7-6-19(26)24(9-8-20)14-17-4-5-17/h12,15,17H,3-11,13-14,16H2,1-2H3
InChIKeyKDQFWGIUYCSUQG-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.81
Rot. Bonds5

About 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70775064) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70775064
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCn1cc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)cn1
InChIInChI=1S/C20H33N5O/c1-3-25-15-18(12-21-25)13-23-11-10-22(2)20(16-23)7-6-19(26)24(9-8-20)14-17-4-5-17/h12,15,17H,3-11,13-14,16H2,1-2H3
InChIKeyKDQFWGIUYCSUQG-UHFFFAOYSA-N
XLogP1.81
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
N,N-dimethyl-2-{(1S*,5R*)-6-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide
CID 133121321
(1R*,5R*)-3-(cyclobutylcarbonyl)-6-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133138474
1-(cyclobutylcarbonyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72837602
1-(cyclohexylmethyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72838074
2-cyclopropyl-9-[2-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72900959
cyclobutyl-[(1R,5R)-6-[(1-ethylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72868154

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70775064) is 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCn1cc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)cn1.
What is the InChIKey of 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KDQFWGIUYCSUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-3-25-15-18(12-21-25)13-23-11-10-22(2)20(16-23)7-6-19(26)24(9-8-20)14-17-4-5-17/h12,15,17H,3-11,13-14,16H2,1-2H3.
What are the key properties of 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.52 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70775064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).