2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride

C18H25ClFN5O — CID 120773227

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(C)(CN)C2)n(-c2ccccc2F)n1.Cl
InChIInChI=1S/C18H24FN5O.ClH/c1-13-9-16(24(22-13)15-6-4-3-5-14(15)19)21-17(25)10-23-8-7-18(2,11-20)12-23;/h3-6,9H,7-8,10-12,20H2,1-2H3,(H,21,25);1H
InChIKeyUKPYFAIEKPBCSS-UHFFFAOYSA-N
MW381.88 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride (PubChem CID 120773227) has the molecular formula C18H25ClFN5O and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
PubChem CID120773227
Molecular FormulaC18H25ClFN5O
Molecular Weight381.88 g/mol
Exact Mass381.17
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(C)(CN)C2)n(-c2ccccc2F)n1.Cl
InChIInChI=1S/C18H24FN5O.ClH/c1-13-9-16(24(22-13)15-6-4-3-5-14(15)19)21-17(25)10-23-8-7-18(2,11-20)12-23;/h3-6,9H,7-8,10-12,20H2,1-2H3,(H,21,25);1H
InChIKeyUKPYFAIEKPBCSS-UHFFFAOYSA-N
XLogP2.35
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide
CID 60507872
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 120771816
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 120772306
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 120771771
1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908557
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride
CID 120772229
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166265470
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120772271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride (CID 120773227) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCC(C)(CN)C2)n(-c2ccccc2F)n1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?
The InChIKey is UKPYFAIEKPBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O.ClH/c1-13-9-16(24(22-13)15-6-4-3-5-14(15)19)21-17(25)10-23-8-7-18(2,11-20)12-23;/h3-6,9H,7-8,10-12,20H2,1-2H3,(H,21,25);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 120773227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).