N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide

C14H13N5O3 — CID 19534572

IUPACN-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1
InChIInChI=1S/C14H13N5O3/c1-9-7-16-18(8-9)10(2)14(20)17-13-4-3-12(19(21)22)5-11(13)6-15/h3-5,7-8,10H,1-2H3,(H,17,20)
InChIKeyARCNNRHIZMCGBZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.17
Rot. Bonds4

About N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide

N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 19534572) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID19534572
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1
InChIInChI=1S/C14H13N5O3/c1-9-7-16-18(8-9)10(2)14(20)17-13-4-3-12(19(21)22)5-11(13)6-15/h3-5,7-8,10H,1-2H3,(H,17,20)
InChIKeyARCNNRHIZMCGBZ-UHFFFAOYSA-N
XLogP2.17
TPSA113.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
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

N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
N-(2-cyano-4-nitrophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079737
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528874
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitrophenyl)propanamide
CID 19532052
2-(azetidin-3-yl)-N-(2-cyano-4-nitrophenyl)propanamide
CID 116675682
N-(2-cyano-4-nitrophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517992
N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534540
(2S)-2-amino-N-(2-cyano-4-nitrophenyl)-3-methylpentanamide
CID 61174424
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538442
N-(2-cyano-4-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478539
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19534179

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide (CID 19534572) is N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(C(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is ARCNNRHIZMCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-9-7-16-18(8-9)10(2)14(20)17-13-4-3-12(19(21)22)5-11(13)6-15/h3-5,7-8,10H,1-2H3,(H,17,20).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 299.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19534572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).