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

C16H19FN4O — CID 120804017

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
SMILESCC1(CN)CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H19FN4O/c1-16(10-18)7-9-20(11-16)15(22)14-6-8-21(19-14)13-4-2-12(17)3-5-13/h2-6,8H,7,9-11,18H2,1H3
InChIKeyQRTBDTSMZKVVHM-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.82
Rot. Bonds3

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 120804017) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID120804017
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
SMILESCC1(CN)CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H19FN4O/c1-16(10-18)7-9-20(11-16)15(22)14-6-8-21(19-14)13-4-2-12(17)3-5-13/h2-6,8H,7,9-11,18H2,1H3
InChIKeyQRTBDTSMZKVVHM-UHFFFAOYSA-N
XLogP1.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400312
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 120805781
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 166239498
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355330
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023395
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone (CID 120804017) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone is CC1(CN)CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is QRTBDTSMZKVVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-16(10-18)7-9-20(11-16)15(22)14-6-8-21(19-14)13-4-2-12(17)3-5-13/h2-6,8H,7,9-11,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 1.82, 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-(4-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 120804017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).