1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone

C15H24N4O — CID 97493667

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN2Cc2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-13(20)18-8-5-15(6-9-18)4-3-7-19(15)12-14-10-16-17(2)11-14/h10-11H,3-9,12H2,1-2H3
InChIKeyNQJIDQDXSQSBKE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.40
Rot. Bonds2

About 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97493667) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID97493667
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN2Cc2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-13(20)18-8-5-15(6-9-18)4-3-7-19(15)12-14-10-16-17(2)11-14/h10-11H,3-9,12H2,1-2H3
InChIKeyNQJIDQDXSQSBKE-UHFFFAOYSA-N
XLogP1.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 159424516
[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745246
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125005876
1-[(1-methylpyrazol-4-yl)methyl]-8-[8-(trifluoromethyl)quinolin-4-yl]-1,8-diazaspiro[4.5]decane
CID 70732168
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155834789
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 97493667) is 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CCCN2Cc2cnn(C)c2)CC1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is NQJIDQDXSQSBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13(20)18-8-5-15(6-9-18)4-3-7-19(15)12-14-10-16-17(2)11-14/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97493667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).