(6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H31N5O2 — CID 97136051

IUPAC(6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nn(CCO)c(C)c1CN1CCN(C)[C@@]2(CCNC(=O)CC2)C1
InChIInChI=1S/C18H31N5O2/c1-14-16(15(2)23(20-14)10-11-24)12-22-9-8-21(3)18(13-22)5-4-17(25)19-7-6-18/h24H,4-13H2,1-3H3,(H,19,25)/t18-/m0/s1
InChIKeyGNSRCYFYHALGEC-SFHVURJKSA-N
MW349.48 g/mol
LogP0.28
Rot. Bonds4

About (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97136051) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97136051
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name(6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nn(CCO)c(C)c1CN1CCN(C)[C@@]2(CCNC(=O)CC2)C1
InChIInChI=1S/C18H31N5O2/c1-14-16(15(2)23(20-14)10-11-24)12-22-9-8-21(3)18(13-22)5-4-17(25)19-7-6-18/h24H,4-13H2,1-3H3,(H,19,25)/t18-/m0/s1
InChIKeyGNSRCYFYHALGEC-SFHVURJKSA-N
XLogP0.28
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-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 (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97136051) is (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1nn(CCO)c(C)c1CN1CCN(C)[C@@]2(CCNC(=O)CC2)C1.
What is the InChIKey of (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is GNSRCYFYHALGEC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14-16(15(2)23(20-14)10-11-24)12-22-9-8-21(3)18(13-22)5-4-17(25)19-7-6-18/h24H,4-13H2,1-3H3,(H,19,25)/t18-/m0/s1.
What are the key properties of (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 349.48 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97136051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).