2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C21H27N5O — CID 119107124

IUPAC2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2cn(C)nc2-c2cccnc2)N2CCCC2)o1
InChIInChI=1S/C21H27N5O/c1-16-7-8-20(27-16)19(26-10-3-4-11-26)14-23-13-18-15-25(2)24-21(18)17-6-5-9-22-12-17/h5-9,12,15,19,23H,3-4,10-11,13-14H2,1-2H3
InChIKeyUUCAVKGVZHLWLA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.31
Rot. Bonds7

About 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 119107124) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID119107124
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2cn(C)nc2-c2cccnc2)N2CCCC2)o1
InChIInChI=1S/C21H27N5O/c1-16-7-8-20(27-16)19(26-10-3-4-11-26)14-23-13-18-15-25(2)24-21(18)17-6-5-9-22-12-17/h5-9,12,15,19,23H,3-4,10-11,13-14H2,1-2H3
InChIKeyUUCAVKGVZHLWLA-UHFFFAOYSA-N
XLogP3.31
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119107159
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 47611144
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111469301
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107148
2-(5-methylfuran-2-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 119107154
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 30961231
2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 119107145

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 119107124) is 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(C(CNCc2cn(C)nc2-c2cccnc2)N2CCCC2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is UUCAVKGVZHLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-7-8-20(27-16)19(26-10-3-4-11-26)14-23-13-18-15-25(2)24-21(18)17-6-5-9-22-12-17/h5-9,12,15,19,23H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 365.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 119107124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).