[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone

C17H22N4O — CID 120809839

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1cc(C(=O)N2CCC(C)(CN)C2)cn1
InChIInChI=1S/C17H22N4O/c1-13-5-3-4-6-15(13)21-10-14(9-19-21)16(22)20-8-7-17(2,11-18)12-20/h3-6,9-10H,7-8,11-12,18H2,1-2H3
InChIKeyRIUZUTISOHQKCQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.99
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 120809839) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
PubChem CID120809839
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1cc(C(=O)N2CCC(C)(CN)C2)cn1
InChIInChI=1S/C17H22N4O/c1-13-5-3-4-6-15(13)21-10-14(9-19-21)16(22)20-8-7-17(2,11-18)12-20/h3-6,9-10H,7-8,11-12,18H2,1-2H3
InChIKeyRIUZUTISOHQKCQ-UHFFFAOYSA-N
XLogP1.99
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 75469055
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 120804243
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120745668
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 120809227
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
(3S,4S)-4-methyl-1-[1-(2-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120953540
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 120805049
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone (CID 120809839) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone is Cc1ccccc1-n1cc(C(=O)N2CCC(C)(CN)C2)cn1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is RIUZUTISOHQKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-3-4-6-15(13)21-10-14(9-19-21)16(22)20-8-7-17(2,11-18)12-20/h3-6,9-10H,7-8,11-12,18H2,1-2H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 120809839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).