N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide

C16H19N5O3 — CID 133405570

IUPACN-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide
SMILESCc1c(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cnn1C
InChIInChI=1S/C16H19N5O3/c1-10-12(9-18-20(10)2)8-17-14-6-3-11(7-15(14)21(23)24)16(22)19-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3,(H,19,22)
InChIKeyFLSMFZNJTDEFAL-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.14
Rot. Bonds6

About N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide

N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide (PubChem CID 133405570) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide
PubChem CID133405570
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide
SMILESCc1c(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cnn1C
InChIInChI=1S/C16H19N5O3/c1-10-12(9-18-20(10)2)8-17-14-6-3-11(7-15(14)21(23)24)16(22)19-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3,(H,19,22)
InChIKeyFLSMFZNJTDEFAL-UHFFFAOYSA-N
XLogP2.14
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.14
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

[4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133405666
N-cyclopropyl-3-nitro-4-[(2-piperidin-1-ylphenyl)methylamino]benzamide
CID 133439652
4-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-N-cyclopropyl-3-nitrobenzamide
CID 42063019
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-nitroaniline
CID 79569430
4-(ethylamino)-3-nitro-N-(thian-4-yl)benzamide
CID 115599746
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline
CID 133405628
N-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-nitrobenzamide
CID 51300912
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 106034578
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitrobenzoic acid
CID 106034518
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide (CID 133405570) is N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide is Cc1c(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cnn1C.
What is the InChIKey of N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide?
The InChIKey is FLSMFZNJTDEFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-12(9-18-20(10)2)8-17-14-6-3-11(7-15(14)21(23)24)16(22)19-13-4-5-13/h3,6-7,9,13,17H,4-5,8H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide?
N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide has a molecular weight of 329.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-nitrobenzamide is sourced from PubChem (CID 133405570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).