2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid

C14H13N5O2 — CID 90407832

IUPAC2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCn3cccn3)cn2)c1
InChIInChI=1S/C14H13N5O2/c20-14(21)11-2-4-15-12(8-11)13-9-18(10-16-13)6-7-19-5-1-3-17-19/h1-5,8-10H,6-7H2,(H,20,21)
InChIKeyFJDQJUPBHKHILS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.54
Rot. Bonds5

About 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407832) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407832
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCn3cccn3)cn2)c1
InChIInChI=1S/C14H13N5O2/c20-14(21)11-2-4-15-12(8-11)13-9-18(10-16-13)6-7-19-5-1-3-17-19/h1-5,8-10H,6-7H2,(H,20,21)
InChIKeyFJDQJUPBHKHILS-UHFFFAOYSA-N
XLogP1.54
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
2-[[[1-[(E)-3-phenylprop-2-enyl]imidazol-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118421047
US10214537, Example 13
CID 132210105
2-[1-[2-[Hexyl(methyl)amino]ethyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 168148191
4-[4-[4-(4-Fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]benzoic acid
CID 76310788
p38|A MAPK/CK1|A inhibitor-1
CID 76332540
3-[8-[(6-Pyrrolidin-1-yl-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 71525711
US10273222, Example 71
CID 85470886
US10273222, Example 2
CID 86268883
US10273222, Example 4
CID 86268885
US10273222, Example 5
CID 86269077
US10273222, Example 87
CID 86269079

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407832) is 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(CCn3cccn3)cn2)c1.
What is the InChIKey of 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is FJDQJUPBHKHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14(21)11-2-4-15-12(8-11)13-9-18(10-16-13)6-7-19-5-1-3-17-19/h1-5,8-10H,6-7H2,(H,20,21).
What are the key properties of 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrazol-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).