N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

C14H15ClN4O3 — CID 19539727

IUPACN-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15ClN4O3/c1-9-11(15)4-3-5-12(9)16-14(20)6-7-18-8-13(19(21)22)10(2)17-18/h3-5,8H,6-7H2,1-2H3,(H,16,20)
InChIKeyFNFJZXBUVLXGMN-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.09
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19539727) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19539727
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15ClN4O3/c1-9-11(15)4-3-5-12(9)16-14(20)6-7-18-8-13(19(21)22)10(2)17-18/h3-5,8H,6-7H2,1-2H3,(H,16,20)
InChIKeyFNFJZXBUVLXGMN-UHFFFAOYSA-N
XLogP3.09
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.09
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-(3-chloro-2-methylphenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565797
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19335519
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480608
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
3-(4-bromo-3-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19561988
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19539727) is N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is FNFJZXBUVLXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-9-11(15)4-3-5-12(9)16-14(20)6-7-18-8-13(19(21)22)10(2)17-18/h3-5,8H,6-7H2,1-2H3,(H,16,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 322.75 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).