1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide

C16H15N7O4 — CID 19516097

IUPAC1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)n1
InChIInChI=1S/C16H15N7O4/c1-21-7-6-14(20-21)16(25)19-12-4-2-11(3-5-12)18-15(24)10-22-9-13(8-17-22)23(26)27/h2-9H,10H2,1H3,(H,18,24)(H,19,25)
InChIKeySUNNXOKELCJZIK-UHFFFAOYSA-N
MW369.34 g/mol
LogP1.42
Rot. Bonds6

About 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide

1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 19516097) has the molecular formula C16H15N7O4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID19516097
Molecular FormulaC16H15N7O4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)n1
InChIInChI=1S/C16H15N7O4/c1-21-7-6-14(20-21)16(25)19-12-4-2-11(3-5-12)18-15(24)10-22-9-13(8-17-22)23(26)27/h2-9H,10H2,1H3,(H,18,24)(H,19,25)
InChIKeySUNNXOKELCJZIK-UHFFFAOYSA-N
XLogP1.42
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 4775215
N-[4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19515848
2-methyl-2-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697013
1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 5047489
N-(1-methylpyrazol-3-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 19405002
1-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-3-carboxamide
CID 19578449
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63649872
N-[4-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19272676
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide (CID 19516097) is 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)n1.
What is the InChIKey of 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is SUNNXOKELCJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O4/c1-21-7-6-14(20-21)16(25)19-12-4-2-11(3-5-12)18-15(24)10-22-9-13(8-17-22)23(26)27/h2-9H,10H2,1H3,(H,18,24)(H,19,25).
What are the key properties of 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19516097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).