propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

C18H29ClN4O2 — CID 56740128

IUPACpropyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCCCOC(=O)N1CCCC2(CCN(Cc3c(C)nn(C)c3Cl)C2)C1
InChIInChI=1S/C18H29ClN4O2/c1-4-10-25-17(24)23-8-5-6-18(13-23)7-9-22(12-18)11-15-14(2)20-21(3)16(15)19/h4-13H2,1-3H3
InChIKeyHWNWHNCVAHUPGX-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.22
Rot. Bonds4

About propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 56740128) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namepropyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID56740128
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Namepropyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCCCOC(=O)N1CCCC2(CCN(Cc3c(C)nn(C)c3Cl)C2)C1
InChIInChI=1S/C18H29ClN4O2/c1-4-10-25-17(24)23-8-5-6-18(13-23)7-9-22(12-18)11-15-14(2)20-21(3)16(15)19/h4-13H2,1-3H3
InChIKeyHWNWHNCVAHUPGX-UHFFFAOYSA-N
XLogP3.22
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate with MolForge

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Related Compounds

8-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707995
tert-butyl N-[[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 75453268
tert-butyl N-[[(3R)-1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 97349400
tert-butyl N-[[(3S)-1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 97349401
ethyl 4-[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29219321
ethyl 4-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29219326
ethyl 4-{1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45203328
3-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 60796486
Tert-butyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dimethylpiperazine-1-carboxylate
CID 75445718
propyl (5R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95191348
propyl (5S)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95191349
tert-butyl (2R,3S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dimethylpiperazine-1-carboxylate
CID 97337227

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 56740128) is propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is CCCOC(=O)N1CCCC2(CCN(Cc3c(C)nn(C)c3Cl)C2)C1.
What is the InChIKey of propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is HWNWHNCVAHUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O2/c1-4-10-25-17(24)23-8-5-6-18(13-23)7-9-22(12-18)11-15-14(2)20-21(3)16(15)19/h4-13H2,1-3H3.
What are the key properties of propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 368.91 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 56740128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).