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

C11H9N7O3 — CID 2982457

IUPAC2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc2c1C(N)=O
InChIInChI=1S/C11H9N7O3/c1-5-8(10(12)19)11-13-2-6(4-17(11)16-5)9-7(18(20)21)3-14-15-9/h2-4H,1H3,(H2,12,19)(H,14,15)
InChIKeyNLIZUBBZWBEWGT-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.43
Rot. Bonds3

About 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2982457) has the molecular formula C11H9N7O3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2982457
Molecular FormulaC11H9N7O3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc2c1C(N)=O
InChIInChI=1S/C11H9N7O3/c1-5-8(10(12)19)11-13-2-6(4-17(11)16-5)9-7(18(20)21)3-14-15-9/h2-4H,1H3,(H2,12,19)(H,14,15)
InChIKeyNLIZUBBZWBEWGT-UHFFFAOYSA-N
XLogP0.43
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.43
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-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 2218339
6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 794529
2-(4-nitro-1H-pyrazol-5-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583179
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479545
5-chloro-4-nitro-1H-pyrazole
CID 18769507
ethane;1-methyl-4-nitropyrazole-3-carboxamide
CID 145224461
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
3-nitroquinoline-4-carboxamide
CID 19034747
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
CID 133098851
4-nitro-1H-indazole-6-carboxamide
CID 171066795
2,6-dimethyl-3-nitrobenzamide
CID 118992531
[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone
CID 19581031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2982457) is 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc2c1C(N)=O.
What is the InChIKey of 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NLIZUBBZWBEWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O3/c1-5-8(10(12)19)11-13-2-6(4-17(11)16-5)9-7(18(20)21)3-14-15-9/h2-4H,1H3,(H2,12,19)(H,14,15).
What are the key properties of 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2982457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).