2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine

C14H27N5 — CID 63784094

IUPAC2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(N2CCCC2CN(C)C)c1CCN
InChIInChI=1S/C14H27N5/c1-11-13(7-8-15)14(18(4)16-11)19-9-5-6-12(19)10-17(2)3/h12H,5-10,15H2,1-4H3
InChIKeyHPJUMIAAORYXSJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.76
Rot. Bonds5

About 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine

2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine (PubChem CID 63784094) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine
PubChem CID63784094
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(N2CCCC2CN(C)C)c1CCN
InChIInChI=1S/C14H27N5/c1-11-13(7-8-15)14(18(4)16-11)19-9-5-6-12(19)10-17(2)3/h12H,5-10,15H2,1-4H3
InChIKeyHPJUMIAAORYXSJ-UHFFFAOYSA-N
XLogP0.76
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]ethanamine
CID 63782509
2-[1,3-dimethyl-5-(2-propylpiperidin-1-yl)pyrazol-4-yl]ethanamine
CID 83057672
[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
CID 116634087
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66029704
[5-(2-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanol
CID 43266645
2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
CID 63783708
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
2-[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanamine
CID 80634931
2-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 55236573
1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
CID 55237371

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine (CID 63784094) is 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine is Cc1nn(C)c(N2CCCC2CN(C)C)c1CCN.
What is the InChIKey of 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is HPJUMIAAORYXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11-13(7-8-15)14(18(4)16-11)19-9-5-6-12(19)10-17(2)3/h12H,5-10,15H2,1-4H3.
What are the key properties of 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine?
2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 63784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).