2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid

C14H26N4O2 — CID 103572149

IUPAC2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1cc(C(NCCN(CC)CC)C(=O)O)cn1
InChIInChI=1S/C14H26N4O2/c1-4-8-18-11-12(10-16-18)13(14(19)20)15-7-9-17(5-2)6-3/h10-11,13,15H,4-9H2,1-3H3,(H,19,20)
InChIKeyOHYFNNMKSYWGHJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.35
Rot. Bonds10

About 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid

2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid (PubChem CID 103572149) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
PubChem CID103572149
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1cc(C(NCCN(CC)CC)C(=O)O)cn1
InChIInChI=1S/C14H26N4O2/c1-4-8-18-11-12(10-16-18)13(14(19)20)15-7-9-17(5-2)6-3/h10-11,13,15H,4-9H2,1-3H3,(H,19,20)
InChIKeyOHYFNNMKSYWGHJ-UHFFFAOYSA-N
XLogP1.35
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-[2-(dimethylamino)ethylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075692
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
ethyl 2-[2-(diethylamino)ethylamino]-2-(3-methylimidazol-4-yl)acetate
CID 66117956
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
1-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483150
ethyl 2-(3-azidopropylamino)-2-(1-propylpyrazol-4-yl)acetate
CID 103572230
2-[2-(diethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584534
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572064

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid (CID 103572149) is 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid is CCCn1cc(C(NCCN(CC)CC)C(=O)O)cn1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid?
The InChIKey is OHYFNNMKSYWGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-8-18-11-12(10-16-18)13(14(19)20)15-7-9-17(5-2)6-3/h10-11,13,15H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid?
2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid has a molecular weight of 282.39 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 103572149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).