4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid

C12H12N4O3 — CID 113385006

IUPAC4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCCn1cccn1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H12N4O3/c17-11(14-5-7-16-6-1-3-15-16)9-2-4-13-10(8-9)12(18)19/h1-4,6,8H,5,7H2,(H,14,17)(H,18,19)
InChIKeyNNTABLHDBITKLY-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.41
Rot. Bonds5

About 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid

4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113385006) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113385006
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCCn1cccn1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H12N4O3/c17-11(14-5-7-16-6-1-3-15-16)9-2-4-13-10(8-9)12(18)19/h1-4,6,8H,5,7H2,(H,14,17)(H,18,19)
InChIKeyNNTABLHDBITKLY-UHFFFAOYSA-N
XLogP0.41
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 106752673
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553542
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid (CID 113385006) is 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCCn1cccn1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is NNTABLHDBITKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11(14-5-7-16-6-1-3-15-16)9-2-4-13-10(8-9)12(18)19/h1-4,6,8H,5,7H2,(H,14,17)(H,18,19).
What are the key properties of 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113385006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).