1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole

C11H19N3O — CID 103004046

IUPAC1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole
SMILESCn1nccc1CCOCC1CCCN1
InChIInChI=1S/C11H19N3O/c1-14-11(4-7-13-14)5-8-15-9-10-3-2-6-12-10/h4,7,10,12H,2-3,5-6,8-9H2,1H3
InChIKeyANDGZCCXSSRGOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.73
Rot. Bonds5

About 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole

1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole (PubChem CID 103004046) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole
PubChem CID103004046
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole
SMILESCn1nccc1CCOCC1CCCN1
InChIInChI=1S/C11H19N3O/c1-14-11(4-7-13-14)5-8-15-9-10-3-2-6-12-10/h4,7,10,12H,2-3,5-6,8-9H2,1H3
InChIKeyANDGZCCXSSRGOJ-UHFFFAOYSA-N
XLogP0.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616829
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632084
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 103542592
1-methyl-5-(1-pyrrolidin-2-ylpropan-2-yl)pyrazole
CID 112715167
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole?
The IUPAC name of 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole (CID 103004046) is 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole.
What is the SMILES notation for 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole?
The canonical SMILES for 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole is Cn1nccc1CCOCC1CCCN1.
What is the InChIKey of 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole?
The InChIKey is ANDGZCCXSSRGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-11(4-7-13-14)5-8-15-9-10-3-2-6-12-10/h4,7,10,12H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole?
1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole has a molecular weight of 209.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole is sourced from PubChem (CID 103004046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).