1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide

C15H17N5O4 — CID 11695639

IUPAC1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N5O4/c1-3-4-11-12(13(14(16)21)19(2)18-11)17-15(22)9-5-7-10(8-6-9)20(23)24/h5-8H,3-4H2,1-2H3,(H2,16,21)(H,17,22)
InChIKeyLNJXLNHOPSAUHL-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.63
Rot. Bonds6

About 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide

1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide (PubChem CID 11695639) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide
PubChem CID11695639
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N5O4/c1-3-4-11-12(13(14(16)21)19(2)18-11)17-15(22)9-5-7-10(8-6-9)20(23)24/h5-8H,3-4H2,1-2H3,(H2,16,21)(H,17,22)
InChIKeyLNJXLNHOPSAUHL-UHFFFAOYSA-N
XLogP1.63
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1,3-dimethyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylate
CID 95749034
4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 692973
5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
CID 5212421
1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
CID 19406253
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-nitrobenzamide
CID 17088718
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
N-(4,6-dichloropyrimidin-5-yl)-4-nitrobenzamide
CID 2322667
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-4-nitrobenzamide
CID 16840904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide (CID 11695639) is 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide?
The InChIKey is LNJXLNHOPSAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-3-4-11-12(13(14(16)21)19(2)18-11)17-15(22)9-5-7-10(8-6-9)20(23)24/h5-8H,3-4H2,1-2H3,(H2,16,21)(H,17,22).
What are the key properties of 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide?
1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-nitrobenzoyl)amino]-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 11695639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).