5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole

C16H21N3O — CID 110258107

IUPAC5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
SMILESCCOc1ccc(CN2CCCC2c2ccn[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-2-20-14-7-5-13(6-8-14)12-19-11-3-4-16(19)15-9-10-17-18-15/h5-10,16H,2-4,11-12H2,1H3,(H,17,18)
InChIKeyQHBIVQOYIOAADA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds5

About 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole

5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 110258107) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
PubChem CID110258107
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
SMILESCCOc1ccc(CN2CCCC2c2ccn[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-2-20-14-7-5-13(6-8-14)12-19-11-3-4-16(19)15-9-10-17-18-15/h5-10,16H,2-4,11-12H2,1H3,(H,17,18)
InChIKeyQHBIVQOYIOAADA-UHFFFAOYSA-N
XLogP3.15
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
1-[(4-ethoxyphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678074
5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 110269409
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole (CID 110258107) is 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole is CCOc1ccc(CN2CCCC2c2ccn[nH]2)cc1.
What is the InChIKey of 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is QHBIVQOYIOAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-14-7-5-13(6-8-14)12-19-11-3-4-16(19)15-9-10-17-18-15/h5-10,16H,2-4,11-12H2,1H3,(H,17,18).
What are the key properties of 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole?
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 271.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 110258107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).