3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid

C16H19N5O3 — CID 68649521

IUPAC3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCc1cc(N)c(NC(=O)c2n[nH]c3c2CCN(C(=O)O)C3)cc1C
InChIInChI=1S/C16H19N5O3/c1-8-5-11(17)12(6-9(8)2)18-15(22)14-10-3-4-21(16(23)24)7-13(10)19-20-14/h5-6H,3-4,7,17H2,1-2H3,(H,18,22)(H,19,20)(H,23,24)
InChIKeyCEKZQYRJECVQKP-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.90
Rot. Bonds2

About 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid

3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 68649521) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID68649521
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCc1cc(N)c(NC(=O)c2n[nH]c3c2CCN(C(=O)O)C3)cc1C
InChIInChI=1S/C16H19N5O3/c1-8-5-11(17)12(6-9(8)2)18-15(22)14-10-3-4-21(16(23)24)7-13(10)19-20-14/h5-6H,3-4,7,17H2,1-2H3,(H,18,22)(H,19,20)(H,23,24)
InChIKeyCEKZQYRJECVQKP-UHFFFAOYSA-N
XLogP1.90
TPSA124.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175056798
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 71773207
tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
tert-butyl 3-[(2-ethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575552
3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175172820
N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 172895624
N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388945
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
methyl 6-(3-methylbenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579818
tert-butyl 3-[(4-cyanophenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575348
N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53139181

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 68649521) is 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid is Cc1cc(N)c(NC(=O)c2n[nH]c3c2CCN(C(=O)O)C3)cc1C.
What is the InChIKey of 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is CEKZQYRJECVQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-8-5-11(17)12(6-9(8)2)18-15(22)14-10-3-4-21(16(23)24)7-13(10)19-20-14/h5-6H,3-4,7,17H2,1-2H3,(H,18,22)(H,19,20)(H,23,24).
What are the key properties of 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 68649521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).