3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole

C12H21N3 — CID 66465542

IUPAC3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
SMILESCCc1cc(CC2(C)CCCN2)n(C)n1
InChIInChI=1S/C12H21N3/c1-4-10-8-11(15(3)14-10)9-12(2)6-5-7-13-12/h8,13H,4-7,9H2,1-3H3
InChIKeyIPAZDPXRZUOYCP-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.67
Rot. Bonds3

About 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole

3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole (PubChem CID 66465542) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
PubChem CID66465542
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
SMILESCCc1cc(CC2(C)CCCN2)n(C)n1
InChIInChI=1S/C12H21N3/c1-4-10-8-11(15(3)14-10)9-12(2)6-5-7-13-12/h8,13H,4-7,9H2,1-3H3
InChIKeyIPAZDPXRZUOYCP-UHFFFAOYSA-N
XLogP1.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465543
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580505
2-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 79117652
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999439
2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580582
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
CID 106797650
3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 80561480
2-(aminomethyl)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79867248
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870277
[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol
CID 66060304

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole (CID 66465542) is 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole is CCc1cc(CC2(C)CCCN2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is IPAZDPXRZUOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10-8-11(15(3)14-10)9-12(2)6-5-7-13-12/h8,13H,4-7,9H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 66465542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).