3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one

C19H30N4O2 — CID 56716326

IUPAC3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCc1c(C)nn(CC(=O)N2CCC3(CCNC(=O)CC3)CC2)c1C
InChIInChI=1S/C19H30N4O2/c1-4-16-14(2)21-23(15(16)3)13-18(25)22-11-8-19(9-12-22)6-5-17(24)20-10-7-19/h4-13H2,1-3H3,(H,20,24)
InChIKeyMBUJVMRXPXHYAH-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.97
Rot. Bonds3

About 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one

3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56716326) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56716326
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCc1c(C)nn(CC(=O)N2CCC3(CCNC(=O)CC3)CC2)c1C
InChIInChI=1S/C19H30N4O2/c1-4-16-14(2)21-23(15(16)3)13-18(25)22-11-8-19(9-12-22)6-5-17(24)20-10-7-19/h4-13H2,1-3H3,(H,20,24)
InChIKeyMBUJVMRXPXHYAH-UHFFFAOYSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 56716326) is 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one is CCc1c(C)nn(CC(=O)N2CCC3(CCNC(=O)CC3)CC2)c1C.
What is the InChIKey of 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is MBUJVMRXPXHYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-16-14(2)21-23(15(16)3)13-18(25)22-11-8-19(9-12-22)6-5-17(24)20-10-7-19/h4-13H2,1-3H3,(H,20,24).
What are the key properties of 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one?
3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 346.48 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56716326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).