2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H32N4O2 — CID 72877405

IUPAC2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1C
InChIInChI=1S/C21H32N4O2/c1-15-16(2)22-23-18(15)5-6-19(26)24-11-9-21(10-12-24)8-7-20(27)25(14-21)13-17-3-4-17/h17H,3-14H2,1-2H3,(H,22,23)
InChIKeyWOHRRWBDOLJRGX-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.60
Rot. Bonds5

About 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72877405) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72877405
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1C
InChIInChI=1S/C21H32N4O2/c1-15-16(2)22-23-18(15)5-6-19(26)24-11-9-21(10-12-24)8-7-20(27)25(14-21)13-17-3-4-17/h17H,3-14H2,1-2H3,(H,22,23)
InChIKeyWOHRRWBDOLJRGX-UHFFFAOYSA-N
XLogP2.60
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
1'-(cyclopropylcarbonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56875867
7-(2,2-dimethylpropyl)-2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 56912204
2-[3-(4,5-Dimethyl-1H-pyrazol-3-YL)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72926411
N-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-1-ethyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 91925186
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4,4-difluoropiperidine
CID 74239325
(6S)-2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96365393

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72877405) is 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1C.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WOHRRWBDOLJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15-16(2)22-23-18(15)5-6-19(26)24-11-9-21(10-12-24)8-7-20(27)25(14-21)13-17-3-4-17/h17H,3-14H2,1-2H3,(H,22,23).
What are the key properties of 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72877405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).