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

C13H23N3 — CID 66465543

IUPAC1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
SMILESCCc1cc(CC2(C)CCCN2)n(CC)n1
InChIInChI=1S/C13H23N3/c1-4-11-9-12(16(5-2)15-11)10-13(3)7-6-8-14-13/h9,14H,4-8,10H2,1-3H3
InChIKeyDPDMSKRNGJQFOH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.15
Rot. Bonds4

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

1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole (PubChem CID 66465543) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
PubChem CID66465543
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
SMILESCCc1cc(CC2(C)CCCN2)n(CC)n1
InChIInChI=1S/C13H23N3/c1-4-11-9-12(16(5-2)15-11)10-13(3)7-6-8-14-13/h9,14H,4-8,10H2,1-3H3
InChIKeyDPDMSKRNGJQFOH-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 79117007
2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580582
1,3-diethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]pyrazole
CID 112564455
[4-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025190
1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797283
1-[(1,3-diethylpyrazol-5-yl)methyl]-2-oxocyclohexane-1-carboxylic acid
CID 103574848
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580505
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026910
3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79926993
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
2-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 79117652

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole (CID 66465543) is 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole is CCc1cc(CC2(C)CCCN2)n(CC)n1.
What is the InChIKey of 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is DPDMSKRNGJQFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11-9-12(16(5-2)15-11)10-13(3)7-6-8-14-13/h9,14H,4-8,10H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 221.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 66465543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).