methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride

C15H23ClN4O3 — CID 119742280

IUPACmethyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride
SMILESCOC(=O)Cn1ccc(NC(=O)CC2CC3CCC(C2)N3)n1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-22-15(21)9-19-5-4-13(18-19)17-14(20)8-10-6-11-2-3-12(7-10)16-11;/h4-5,10-12,16H,2-3,6-9H2,1H3,(H,17,18,20);1H
InChIKeyIEAHLNCOPWPNIA-UHFFFAOYSA-N
MW342.83 g/mol
LogP1.34
Rot. Bonds5

About methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride

methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride (PubChem CID 119742280) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride
PubChem CID119742280
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Namemethyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride
SMILESCOC(=O)Cn1ccc(NC(=O)CC2CC3CCC(C2)N3)n1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-22-15(21)9-19-5-4-13(18-19)17-14(20)8-10-6-11-2-3-12(7-10)16-11;/h4-5,10-12,16H,2-3,6-9H2,1H3,(H,17,18,20);1H
InChIKeyIEAHLNCOPWPNIA-UHFFFAOYSA-N
XLogP1.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride with MolForge

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Related Compounds

N-(1-ethylpyrazol-3-yl)-2-piperidin-4-ylacetamide
CID 66510151
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 79607334
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119693548
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-dimethyl-3-pyridinyl)acetamide;dihydrochloride
CID 119858239
methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
CID 119950382
N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879379
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119711092
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride
CID 119856904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride (CID 119742280) is methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride is COC(=O)Cn1ccc(NC(=O)CC2CC3CCC(C2)N3)n1.Cl.
What is the InChIKey of methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride?
The InChIKey is IEAHLNCOPWPNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-22-15(21)9-19-5-4-13(18-19)17-14(20)8-10-6-11-2-3-12(7-10)16-11;/h4-5,10-12,16H,2-3,6-9H2,1H3,(H,17,18,20);1H.
What are the key properties of methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride?
methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 119742280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).