8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one

C19H29ClN4O — CID 70740860

IUPAC8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(CCn3cc(Cl)cn3)C2)CN1C1CCCC1
InChIInChI=1S/C19H29ClN4O/c20-16-12-21-23(13-16)11-10-22-9-3-7-19(14-22)8-6-18(25)24(15-19)17-4-1-2-5-17/h12-13,17H,1-11,14-15H2
InChIKeyNJDXBCUKBTXBTA-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.18
Rot. Bonds4

About 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one

8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70740860) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70740860
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(CCn3cc(Cl)cn3)C2)CN1C1CCCC1
InChIInChI=1S/C19H29ClN4O/c20-16-12-21-23(13-16)11-10-22-9-3-7-19(14-22)8-6-18(25)24(15-19)17-4-1-2-5-17/h12-13,17H,1-11,14-15H2
InChIKeyNJDXBCUKBTXBTA-UHFFFAOYSA-N
XLogP3.18
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-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-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70786934
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219
2-cyclopropyl-9-[2-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72900959
2-allyl-9-[2-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72921969
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanamide
CID 72861412
(6R)-8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404314
(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97148945
[3-(4-Chloropyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(4,4-difluorocyclohexyl)methanone
CID 145868888
4-[2-(4-chloro-1H-pyrazol-1-yl)propanoyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56748730
9-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70737134
(4aS*,8aR*)-6-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-1-(3-methylbutyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70741958

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one (CID 70740860) is 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(CCn3cc(Cl)cn3)C2)CN1C1CCCC1.
What is the InChIKey of 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NJDXBCUKBTXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c20-16-12-21-23(13-16)11-10-22-9-3-7-19(14-22)8-6-18(25)24(15-19)17-4-1-2-5-17/h12-13,17H,1-11,14-15H2.
What are the key properties of 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.92 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chloropyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70740860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).