1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C13H17N5O3 — CID 107496664

IUPAC1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C13H17N5O3/c1-3-18-11(6-9(2)16-18)12(19)14-4-5-17-7-10(13(20)21)15-8-17/h6-8H,3-5H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyVQQWADCCRJHACI-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.54
Rot. Bonds6

About 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496664) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496664
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C13H17N5O3/c1-3-18-11(6-9(2)16-18)12(19)14-4-5-17-7-10(13(20)21)15-8-17/h6-8H,3-5H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyVQQWADCCRJHACI-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-[(4-amino-3-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500519
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
1-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496353
1-[2-[(2-amino-5-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500533
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107496664) is 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is CCn1nc(C)cc1C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is VQQWADCCRJHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-18-11(6-9(2)16-18)12(19)14-4-5-17-7-10(13(20)21)15-8-17/h6-8H,3-5H2,1-2H3,(H,14,19)(H,20,21).
What are the key properties of 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).