8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide

C18H31N5O — CID 125157569

IUPAC8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCC[C@H](C)n1nccc1NC(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C18H31N5O/c1-4-5-15(2)23-16(6-10-19-23)20-17(24)22-13-9-18(14-22)7-11-21(3)12-8-18/h6,10,15H,4-5,7-9,11-14H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyHOBIYKLJIDHWIN-HNNXBMFYSA-N
MW333.48 g/mol
LogP3.19
Rot. Bonds4

About 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide

8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 125157569) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID125157569
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCC[C@H](C)n1nccc1NC(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C18H31N5O/c1-4-5-15(2)23-16(6-10-19-23)20-17(24)22-13-9-18(14-22)7-11-21(3)12-8-18/h6,10,15H,4-5,7-9,11-14H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyHOBIYKLJIDHWIN-HNNXBMFYSA-N
XLogP3.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone
CID 138035518
3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide
CID 125177331
1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
CID 125172155
1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090384
N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
CID 119045435
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.5]decane-2-carboxamide
CID 124726994
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 126434651
N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide
CID 46989626
8-(2-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745018
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026
1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
CID 167792435

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 125157569) is 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide is CCC[C@H](C)n1nccc1NC(=O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is HOBIYKLJIDHWIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-5-15(2)23-16(6-10-19-23)20-17(24)22-13-9-18(14-22)7-11-21(3)12-8-18/h6,10,15H,4-5,7-9,11-14H2,1-3H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 125157569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).