N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide

C13H11N9O5 — CID 147027783

IUPACN-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCC(=O)C1=NN=C(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])[nH]n3)n[nH]2)C1
InChIInChI=1S/C13H11N9O5/c1-5(23)6-2-9(19-16-6)14-12(24)7-3-10(20-17-7)15-13(25)8-4-11(21-18-8)22(26)27/h3-4H,2H2,1H3,(H,18,21)(H,14,19,24)(H2,15,17,20,25)
InChIKeyAWZIYVWDILVYRX-UHFFFAOYSA-N
MW373.29 g/mol
LogP-0.23
Rot. Bonds5

About N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide

N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 147027783) has the molecular formula C13H11N9O5 and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID147027783
Molecular FormulaC13H11N9O5
Molecular Weight373.29 g/mol
Exact Mass373.09
IUPAC NameN-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCC(=O)C1=NN=C(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])[nH]n3)n[nH]2)C1
InChIInChI=1S/C13H11N9O5/c1-5(23)6-2-9(19-16-6)14-12(24)7-3-10(20-17-7)15-13(25)8-4-11(21-18-8)22(26)27/h3-4H,2H2,1H3,(H,18,21)(H,14,19,24)(H2,15,17,20,25)
InChIKeyAWZIYVWDILVYRX-UHFFFAOYSA-N
XLogP-0.23
TPSA200.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide (CID 147027783) is N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide is CC(=O)C1=NN=C(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])[nH]n3)n[nH]2)C1.
What is the InChIKey of N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is AWZIYVWDILVYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N9O5/c1-5(23)6-2-9(19-16-6)14-12(24)7-3-10(20-17-7)15-13(25)8-4-11(21-18-8)22(26)27/h3-4H,2H2,1H3,(H,18,21)(H,14,19,24)(H2,15,17,20,25).
What are the key properties of N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 373.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4H-pyrazol-3-yl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 147027783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).