1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine

C17H24N4O — CID 120843343

IUPAC1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccccc1-n1nccc1CN1CCC(C(C)N)C1
InChIInChI=1S/C17H24N4O/c1-13(18)14-8-10-20(11-14)12-15-7-9-19-21(15)16-5-3-4-6-17(16)22-2/h3-7,9,13-14H,8,10-12,18H2,1-2H3
InChIKeyFBPDHNKININROW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine

1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 120843343) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
PubChem CID120843343
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccccc1-n1nccc1CN1CCC(C(C)N)C1
InChIInChI=1S/C17H24N4O/c1-13(18)14-8-10-20(11-14)12-15-7-9-19-21(15)16-5-3-4-6-17(16)22-2/h3-7,9,13-14H,8,10-12,18H2,1-2H3
InChIKeyFBPDHNKININROW-UHFFFAOYSA-N
XLogP2.05
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.05
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]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
(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-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 113499860
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine (CID 120843343) is 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine is COc1ccccc1-n1nccc1CN1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is FBPDHNKININROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(18)14-8-10-20(11-14)12-15-7-9-19-21(15)16-5-3-4-6-17(16)22-2/h3-7,9,13-14H,8,10-12,18H2,1-2H3.
What are the key properties of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 120843343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).