(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H28ClN5O — CID 97148945

IUPAC(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@@]2(CCC1=O)CN(CCn1cc(Cl)cn1)CCN2C
InChIInChI=1S/C17H28ClN5O/c1-3-22-7-6-17(5-4-16(22)24)14-21(9-8-20(17)2)10-11-23-13-15(18)12-19-23/h12-13H,3-11,14H2,1-2H3/t17-/m0/s1
InChIKeyVTAHQJFGEBTJRS-KRWDZBQOSA-N
MW353.90 g/mol
LogP1.56
Rot. Bonds4

About (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97148945) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97148945
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC Name(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@@]2(CCC1=O)CN(CCn1cc(Cl)cn1)CCN2C
InChIInChI=1S/C17H28ClN5O/c1-3-22-7-6-17(5-4-16(22)24)14-21(9-8-20(17)2)10-11-23-13-15(18)12-19-23/h12-13H,3-11,14H2,1-2H3/t17-/m0/s1
InChIKeyVTAHQJFGEBTJRS-KRWDZBQOSA-N
XLogP1.56
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-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

Related Compounds

8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70740860
9-(cyclopropylmethyl)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70775064
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70786934
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
CID 91842379
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97115847
4-[2-(4-chloro-1H-pyrazol-1-yl)propanoyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56748730
N-{1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}-N,N',N'-trimethyl-1,2-ethanediamine
CID 56912431
9-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70737134
9-(cyclopropylmethyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72893769
8-(2-Methylpropanoyl)-11-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one
CID 131662714
11-Methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one
CID 134073045

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97148945) is (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CC[C@@]2(CCC1=O)CN(CCn1cc(Cl)cn1)CCN2C.
What is the InChIKey of (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is VTAHQJFGEBTJRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28ClN5O/c1-3-22-7-6-17(5-4-16(22)24)14-21(9-8-20(17)2)10-11-23-13-15(18)12-19-23/h12-13H,3-11,14H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 353.90 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97148945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).