1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide

C12H15N7O4 — CID 19412295

IUPAC1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C12H15N7O4/c1-7-5-9(19(22)23)16-18(7)4-3-10(20)15-8-6-14-17(2)11(8)12(13)21/h5-6H,3-4H2,1-2H3,(H2,13,21)(H,15,20)
InChIKeyPVWXHPOXCPSUNA-UHFFFAOYSA-N
MW321.30 g/mol
LogP-0.04
Rot. Bonds6

About 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide

1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide (PubChem CID 19412295) has the molecular formula C12H15N7O4 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
PubChem CID19412295
Molecular FormulaC12H15N7O4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Name1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C12H15N7O4/c1-7-5-9(19(22)23)16-18(7)4-3-10(20)15-8-6-14-17(2)11(8)12(13)21/h5-6H,3-4H2,1-2H3,(H2,13,21)(H,15,20)
InChIKeyPVWXHPOXCPSUNA-UHFFFAOYSA-N
XLogP-0.04
TPSA150.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 5-0.04
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

methyl 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342185
4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19583503
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
1-methyl-4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylic acid
CID 19406107
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541940
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541775
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19566046
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19395579
3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 6210816
ethyl 5-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19541749

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide (CID 19412295) is 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide is Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide?
The InChIKey is PVWXHPOXCPSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O4/c1-7-5-9(19(22)23)16-18(7)4-3-10(20)15-8-6-14-17(2)11(8)12(13)21/h5-6H,3-4H2,1-2H3,(H2,13,21)(H,15,20).
What are the key properties of 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide?
1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide has a molecular weight of 321.30 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide is sourced from PubChem (CID 19412295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).