methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate

C13H24N4O2 — CID 66172738

IUPACmethyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
SMILESCCN(CC)CCn1cc(NC(C)C(=O)OC)cn1
InChIInChI=1S/C13H24N4O2/c1-5-16(6-2)7-8-17-10-12(9-14-17)15-11(3)13(18)19-4/h9-11,15H,5-8H2,1-4H3
InChIKeyLDKSBKCYVWLJDV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.20
Rot. Bonds8

About methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate

methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate (PubChem CID 66172738) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
PubChem CID66172738
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Namemethyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
SMILESCCN(CC)CCn1cc(NC(C)C(=O)OC)cn1
InChIInChI=1S/C13H24N4O2/c1-5-16(6-2)7-8-17-10-12(9-14-17)15-11(3)13(18)19-4/h9-11,15H,5-8H2,1-4H3
InChIKeyLDKSBKCYVWLJDV-UHFFFAOYSA-N
XLogP1.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
CID 54866652
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
CID 47927297
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411037
2-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 64823183
2-[2-(4-aminopyrazol-1-yl)ethyl-ethylamino]acetamide
CID 103101391

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate?
The IUPAC name of methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate (CID 66172738) is methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate is CCN(CC)CCn1cc(NC(C)C(=O)OC)cn1.
What is the InChIKey of methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate?
The InChIKey is LDKSBKCYVWLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-16(6-2)7-8-17-10-12(9-14-17)15-11(3)13(18)19-4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate?
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate has a molecular weight of 268.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate is sourced from PubChem (CID 66172738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).