2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

C13H17N5O3 — CID 19485649

IUPAC2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1nccc1C(C)NC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-3-17-10(4-6-14-17)9(2)16-12(19)8-18-11(13(20)21)5-7-15-18/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyAMORBMYXOFWDCF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.68
Rot. Bonds6

About 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485649) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485649
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1nccc1C(C)NC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-3-17-10(4-6-14-17)9(2)16-12(19)8-18-11(13(20)21)5-7-15-18/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyAMORBMYXOFWDCF-UHFFFAOYSA-N
XLogP0.68
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
2-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19485587
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide
CID 19520165
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
3-(4-bromopyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19561872
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523821
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485713
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485649) is 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is CCn1nccc1C(C)NC(=O)Cn1nccc1C(=O)O.
What is the InChIKey of 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is AMORBMYXOFWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-17-10(4-6-14-17)9(2)16-12(19)8-18-11(13(20)21)5-7-15-18/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).