5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

C9H12N4O3 — CID 22605324

IUPAC5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1CCn2nc(C(N)=O)c([N+](=O)[O-])c2C1
InChIInChI=1S/C9H12N4O3/c1-5-2-3-12-6(4-5)8(13(15)16)7(11-12)9(10)14/h5H,2-4H2,1H3,(H2,10,14)
InChIKeyKTEOACUOVFEERW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.47
Rot. Bonds2

About 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 22605324) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID22605324
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1CCn2nc(C(N)=O)c([N+](=O)[O-])c2C1
InChIInChI=1S/C9H12N4O3/c1-5-2-3-12-6(4-5)8(13(15)16)7(11-12)9(10)14/h5H,2-4H2,1H3,(H2,10,14)
InChIKeyKTEOACUOVFEERW-UHFFFAOYSA-N
XLogP0.47
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 22605317
3-nitro-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CID 22605315
1-cyclohexyl-3-methyl-4-nitropyrazole-5-carboxamide
CID 23024289
3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
CID 11228995
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 17020847
2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 4669970
ethane;1-methyl-4-nitropyrazole-3-carboxamide
CID 145224461
3-carbamoyl-4-nitro-1H-pyrazole-5-carboxylic acid
CID 143050689
3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-morpholin-4-yl-2-nitrobenzamide
CID 150139921
6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 2940089
2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 4033138
1-methyl-4-nitro-3-propan-2-ylpyrazole-5-carboxamide
CID 45097304

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 22605324) is 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is CC1CCn2nc(C(N)=O)c([N+](=O)[O-])c2C1.
What is the InChIKey of 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is KTEOACUOVFEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5-2-3-12-6(4-5)8(13(15)16)7(11-12)9(10)14/h5H,2-4H2,1H3,(H2,10,14).
What are the key properties of 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 22605324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).