(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C13H22N4O — CID 102811060

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CCCC1CNC
InChIInChI=1S/C13H22N4O/c1-4-12-11(9-16(3)15-12)13(18)17-7-5-6-10(17)8-14-2/h9-10,14H,4-8H2,1-3H3
InChIKeyJHKKSGICUWAZOJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.81
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 102811060) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID102811060
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CCCC1CNC
InChIInChI=1S/C13H22N4O/c1-4-12-11(9-16(3)15-12)13(18)17-7-5-6-10(17)8-14-2/h9-10,14H,4-8H2,1-3H3
InChIKeyJHKKSGICUWAZOJ-UHFFFAOYSA-N
XLogP0.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 102810537
(3-ethyl-1-methylpyrazol-4-yl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 102810898
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569786
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119650742
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone
CID 67090059
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808516
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115316280
[3-(chloromethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811387

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 102811060) is (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCc1nn(C)cc1C(=O)N1CCCC1CNC.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JHKKSGICUWAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-12-11(9-16(3)15-12)13(18)17-7-5-6-10(17)8-14-2/h9-10,14H,4-8H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 250.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102811060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).