2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride

C23H31ClN4O — CID 119684833

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C23H30N4O.ClH/c28-23(14-16-12-18-10-11-19(13-16)24-18)25-22-15-21(17-6-4-5-7-17)26-27(22)20-8-2-1-3-9-20;/h1-3,8-9,15-19,24H,4-7,10-14H2,(H,25,28);1H
InChIKeyJORUHKUCEFBRCV-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.81
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride (PubChem CID 119684833) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
PubChem CID119684833
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C23H30N4O.ClH/c28-23(14-16-12-18-10-11-19(13-16)24-18)25-22-15-21(17-6-4-5-7-17)26-27(22)20-8-2-1-3-9-20;/h1-3,8-9,15-19,24H,4-7,10-14H2,(H,25,28);1H
InChIKeyJORUHKUCEFBRCV-UHFFFAOYSA-N
XLogP4.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 119680128
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
CID 56520964
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide
CID 119797189
4-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-methoxybutanamide
CID 120586999
3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
CID 78830466
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
CID 119704778
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 36672610
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46685327

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride (CID 119684833) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1cc(C2CCCC2)nn1-c1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride?
The InChIKey is JORUHKUCEFBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.ClH/c28-23(14-16-12-18-10-11-19(13-16)24-18)25-22-15-21(17-6-4-5-7-17)26-27(22)20-8-2-1-3-9-20;/h1-3,8-9,15-19,24H,4-7,10-14H2,(H,25,28);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 119684833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).