9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H25ClN4O3 — CID 72856741

IUPAC9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1c(Cl)cnn1C)CC2
InChIInChI=1S/C17H25ClN4O3/c1-20-15(13(18)11-19-20)16(24)21-7-5-17(6-8-21)4-3-14(23)22(12-17)9-10-25-2/h11H,3-10,12H2,1-2H3
InChIKeyCRLSRHPYIUCGGS-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.56
Rot. Bonds4

About 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72856741) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72856741
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC Name9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1c(Cl)cnn1C)CC2
InChIInChI=1S/C17H25ClN4O3/c1-20-15(13(18)11-19-20)16(24)21-7-5-17(6-8-21)4-3-14(23)22(12-17)9-10-25-2/h11H,3-10,12H2,1-2H3
InChIKeyCRLSRHPYIUCGGS-UHFFFAOYSA-N
XLogP1.56
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
4-chloro-1-ethyl-N~3~-methyl-N~3~-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 71686934
2-Methyl-8-(1-methyl-1H-pyrazole-5-carbonyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 91911305
9-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871895
9-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72933965
N-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-4-chloro-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 91927478
(5S)-2-(4-chloro-1-methylpyrazole-5-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126262
9-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936175
8-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 50956918
4-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56750005
8-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72864526
1-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-propoxypiperidine
CID 118771377

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72856741) is 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1c(Cl)cnn1C)CC2.
What is the InChIKey of 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CRLSRHPYIUCGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c1-20-15(13(18)11-19-20)16(24)21-7-5-17(6-8-21)4-3-14(23)22(12-17)9-10-25-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.87 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72856741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).