1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide

C15H13N7O4 — CID 19479707

IUPAC1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)c3[nH]ncc3[N+](=O)[O-])c2)n1
InChIInChI=1S/C15H13N7O4/c1-21-6-5-11(20-21)14(23)17-9-3-2-4-10(7-9)18-15(24)13-12(22(25)26)8-16-19-13/h2-8H,1H3,(H,16,19)(H,17,23)(H,18,24)
InChIKeyBBIOGQSSHKLITD-UHFFFAOYSA-N
MW355.31 g/mol
LogP1.56
Rot. Bonds5

About 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide

1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 19479707) has the molecular formula C15H13N7O4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID19479707
Molecular FormulaC15H13N7O4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)c3[nH]ncc3[N+](=O)[O-])c2)n1
InChIInChI=1S/C15H13N7O4/c1-21-6-5-11(20-21)14(23)17-9-3-2-4-10(7-9)18-15(24)13-12(22(25)26)8-16-19-13/h2-8H,1H3,(H,16,19)(H,17,23)(H,18,24)
InChIKeyBBIOGQSSHKLITD-UHFFFAOYSA-N
XLogP1.56
TPSA147.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
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

N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434
N-[3-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19528369
N-(1-methylbenzimidazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 831829
1-(1-adamantyl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-4-nitropyrazole-3-carboxamide
CID 19266046
N-[3-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19567929
N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19337412
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19338603
N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 75436462
N-(1-benzylpyrazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19395735
N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 75436161
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19404118

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide (CID 19479707) is 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccc(NC(=O)c3[nH]ncc3[N+](=O)[O-])c2)n1.
What is the InChIKey of 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is BBIOGQSSHKLITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O4/c1-21-6-5-11(20-21)14(23)17-9-3-2-4-10(7-9)18-15(24)13-12(22(25)26)8-16-19-13/h2-8H,1H3,(H,16,19)(H,17,23)(H,18,24).
What are the key properties of 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 355.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19479707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).