(4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C12H16ClN3O3 — CID 6464556

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H16ClN3O3/c1-15-10(9(13)8-14-15)11(17)16-4-2-12(3-5-16)18-6-7-19-12/h8H,2-7H2,1H3
InChIKeyDZNSMZJYAWRYMM-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.05
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 6464556) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID6464556
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H16ClN3O3/c1-15-10(9(13)8-14-15)11(17)16-4-2-12(3-5-16)18-6-7-19-12/h8H,2-7H2,1H3
InChIKeyDZNSMZJYAWRYMM-UHFFFAOYSA-N
XLogP1.05
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone
CID 6469573
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
(4-chloro-1-ethyl-1H-pyrazol-3-yl){2-[2-(1-pyrrolidinyl)ethyl]piperidino}methanone
CID 53193392
4-chloro-1-methyl-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 6469224
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 51389669
7-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-7-azaspiro[3.5]nonane
CID 77093919
4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
CID 99739945

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 6464556) is (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is DZNSMZJYAWRYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-15-10(9(13)8-14-15)11(17)16-4-2-12(3-5-16)18-6-7-19-12/h8H,2-7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 285.73 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 6464556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).