[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C16H23ClN4O — CID 120837654

IUPAC[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccccc1-n1nccc1CN1CCC(CN)C1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-21-16-5-3-2-4-15(16)20-14(6-8-18-20)12-19-9-7-13(10-17)11-19;/h2-6,8,13H,7,9-12,17H2,1H3;1H
InChIKeyIJKVJTKHARZIJX-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.08
Rot. Bonds5

About [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120837654) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120837654
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccccc1-n1nccc1CN1CCC(CN)C1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-21-16-5-3-2-4-15(16)20-14(6-8-18-20)12-19-9-7-13(10-17)11-19;/h2-6,8,13H,7,9-12,17H2,1H3;1H
InChIKeyIJKVJTKHARZIJX-UHFFFAOYSA-N
XLogP2.08
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
(4aS,7aS)-6-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 139010341
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842677
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120837654) is [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is COc1ccccc1-n1nccc1CN1CCC(CN)C1.Cl.
What is the InChIKey of [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is IJKVJTKHARZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-21-16-5-3-2-4-15(16)20-14(6-8-18-20)12-19-9-7-13(10-17)11-19;/h2-6,8,13H,7,9-12,17H2,1H3;1H.
What are the key properties of [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120837654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).