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

C11H13N5O3 — CID 107497339

IUPAC1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCn2cnc(C(=O)O)c2)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-7-4-8(15-14-7)10(17)12-2-3-16-5-9(11(18)19)13-6-16/h4-6H,2-3H2,1H3,(H,12,17)(H,14,15)(H,18,19)
InChIKeyUCHIWXQRVRQMAZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.04
Rot. Bonds5

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

1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497339) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497339
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCn2cnc(C(=O)O)c2)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-7-4-8(15-14-7)10(17)12-2-3-16-5-9(11(18)19)13-6-16/h4-6H,2-3H2,1H3,(H,12,17)(H,14,15)(H,18,19)
InChIKeyUCHIWXQRVRQMAZ-UHFFFAOYSA-N
XLogP0.04
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107497339) is 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is Cc1cc(C(=O)NCCn2cnc(C(=O)O)c2)n[nH]1.
What is the InChIKey of 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is UCHIWXQRVRQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-4-8(15-14-7)10(17)12-2-3-16-5-9(11(18)19)13-6-16/h4-6H,2-3H2,1H3,(H,12,17)(H,14,15)(H,18,19).
What are the key properties of 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).