2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C19H27ClN4O — CID 120907591

IUPAC2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC3(CCNCC3)C2)cc1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-24-17-4-2-15(3-5-17)18-16(12-21-22-18)13-23-11-8-19(14-23)6-9-20-10-7-19;/h2-5,12,20H,6-11,13-14H2,1H3,(H,21,22);1H
InChIKeyGWEVTJUJAYRAKM-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.08
Rot. Bonds4

About 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120907591) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120907591
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC3(CCNCC3)C2)cc1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-24-17-4-2-15(3-5-17)18-16(12-21-22-18)13-23-11-8-19(14-23)6-9-20-10-7-19;/h2-5,12,20H,6-11,13-14H2,1H3,(H,21,22);1H
InChIKeyGWEVTJUJAYRAKM-UHFFFAOYSA-N
XLogP3.08
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride 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

2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907590
7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135106659
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908077
2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908357
2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154892118
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
ethyl (3S)-3-(2-methoxyethyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 42197367

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120907591) is 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COc1ccc(-c2[nH]ncc2CN2CCC3(CCNCC3)C2)cc1.Cl.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is GWEVTJUJAYRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-24-17-4-2-15(3-5-17)18-16(12-21-22-18)13-23-11-8-19(14-23)6-9-20-10-7-19;/h2-5,12,20H,6-11,13-14H2,1H3,(H,21,22);1H.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120907591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).