2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride

C20H30ClN5O — CID 120772229

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN3CCC(C)(CN)C3)c2C)cc1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-14-5-7-17(8-6-14)25-16(3)19(15(2)23-25)22-18(26)11-24-10-9-20(4,12-21)13-24;/h5-8H,9-13,21H2,1-4H3,(H,22,26);1H
InChIKeyUXNQTFARFQILSV-UHFFFAOYSA-N
MW391.95 g/mol
LogP2.83
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride (PubChem CID 120772229) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride
PubChem CID120772229
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN3CCC(C)(CN)C3)c2C)cc1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-14-5-7-17(8-6-14)25-16(3)19(15(2)23-25)22-18(26)11-24-10-9-20(4,12-21)13-24;/h5-8H,9-13,21H2,1-4H3,(H,22,26);1H
InChIKeyUXNQTFARFQILSV-UHFFFAOYSA-N
XLogP2.83
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 52.83
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-trimethylphenyl)acetamide;hydrochloride
CID 120772641
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 120771771
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120772287
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 34160626
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 120773227
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
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-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride (CID 120772229) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride is Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC(C)(CN)C3)c2C)cc1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is UXNQTFARFQILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-14-5-7-17(8-6-14)25-16(3)19(15(2)23-25)22-18(26)11-24-10-9-20(4,12-21)13-24;/h5-8H,9-13,21H2,1-4H3,(H,22,26);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 2.83, 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-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 120772229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).