4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H27N5O2 — CID 72869349

IUPAC4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1n[nH]c(C)c1CC(=O)N1CCN(C)C2(CCNC(=O)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-12-14(13(2)20-19-12)10-16(24)22-9-8-21(3)17(11-22)5-4-15(23)18-7-6-17/h4-11H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyMIKNAMATVCQHPO-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.38
Rot. Bonds2

About 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72869349) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72869349
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1n[nH]c(C)c1CC(=O)N1CCN(C)C2(CCNC(=O)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-12-14(13(2)20-19-12)10-16(24)22-9-8-21(3)17(11-22)5-4-15(23)18-7-6-17/h4-11H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyMIKNAMATVCQHPO-UHFFFAOYSA-N
XLogP0.38
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72869349) is 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1n[nH]c(C)c1CC(=O)N1CCN(C)C2(CCNC(=O)CC2)C1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is MIKNAMATVCQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-14(13(2)20-19-12)10-16(24)22-9-8-21(3)17(11-22)5-4-15(23)18-7-6-17/h4-11H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 333.44 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72869349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).