N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide

C13H13ClN4O3 — CID 19569884

IUPACN-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H13ClN4O3/c1-9-4-6-15-17(9)7-5-13(19)16-12-8-10(18(20)21)2-3-11(12)14/h2-4,6,8H,5,7H2,1H3,(H,16,19)
InChIKeyPZFYBEDALFTSRI-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.78
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide

N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19569884) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID19569884
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC NameN-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H13ClN4O3/c1-9-4-6-15-17(9)7-5-13(19)16-12-8-10(18(20)21)2-3-11(12)14/h2-4,6,8H,5,7H2,1H3,(H,16,19)
InChIKeyPZFYBEDALFTSRI-UHFFFAOYSA-N
XLogP2.78
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.78
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

N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
N-(2-chloro-5-nitrophenyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19549927
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
CID 19475346
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489
N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569914
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 112682889
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide (CID 19569884) is N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is PZFYBEDALFTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-9-4-6-15-17(9)7-5-13(19)16-12-8-10(18(20)21)2-3-11(12)14/h2-4,6,8H,5,7H2,1H3,(H,16,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide?
N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 308.73 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19569884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).