6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C10H7N7O3 — CID 794529

IUPAC6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc12
InChIInChI=1S/C10H7N7O3/c11-9(18)6-2-14-16-4-5(1-12-10(6)16)8-7(17(19)20)3-13-15-8/h1-4H,(H2,11,18)(H,13,15)
InChIKeyVNVDLCOVZPSGLR-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.13
Rot. Bonds3

About 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 794529) has the molecular formula C10H7N7O3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID794529
Molecular FormulaC10H7N7O3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc12
InChIInChI=1S/C10H7N7O3/c11-9(18)6-2-14-16-4-5(1-12-10(6)16)8-7(17(19)20)3-13-15-8/h1-4H,(H2,11,18)(H,13,15)
InChIKeyVNVDLCOVZPSGLR-UHFFFAOYSA-N
XLogP0.13
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2982457
2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 2218339
6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56896710
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95719143
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 63842384
5-chloro-4-nitro-1H-pyrazole
CID 18769507
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
2-(4-nitro-1H-pyrazol-5-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583179
4-nitro-1H-indazole-6-carboxamide
CID 171066795
6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
prop-2-enyl 4-nitro-1H-pyrazole-5-carboxylate
CID 67199492
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 794529) is 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc12.
What is the InChIKey of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VNVDLCOVZPSGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7O3/c11-9(18)6-2-14-16-4-5(1-12-10(6)16)8-7(17(19)20)3-13-15-8/h1-4H,(H2,11,18)(H,13,15).
What are the key properties of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 273.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 794529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).