N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C15H18N4O3 — CID 122157420

IUPACN-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1C
InChIInChI=1S/C15H18N4O3/c1-10-11(2)17-18(12(10)3)9-8-15(20)16-13-6-4-5-7-14(13)19(21)22/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyRBXRCEJKBAVMFT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.75
Rot. Bonds5

About N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 122157420) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID122157420
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1C
InChIInChI=1S/C15H18N4O3/c1-10-11(2)17-18(12(10)3)9-8-15(20)16-13-6-4-5-7-14(13)19(21)22/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyRBXRCEJKBAVMFT-UHFFFAOYSA-N
XLogP2.75
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
N-(2-acetylphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
CID 4988281
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19557792
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-naphthalen-1-ylbutanamide
CID 46506016
N-(2-methyl-3-nitrophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39437758
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518
N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557685

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 122157420) is N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1C.
What is the InChIKey of N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is RBXRCEJKBAVMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-11(2)17-18(12(10)3)9-8-15(20)16-13-6-4-5-7-14(13)19(21)22/h4-7H,8-9H2,1-3H3,(H,16,20).
What are the key properties of N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 122157420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).