2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide

C19H21N5O3 — CID 19533179

IUPAC2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
SMILESCc1nn(C(C)C(=O)NC(C)c2ccc(-n3cccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N5O3/c1-13(16-6-8-17(9-7-16)22-10-4-5-11-22)20-19(25)15(3)23-12-18(24(26)27)14(2)21-23/h4-13,15H,1-3H3,(H,20,25)
InChIKeyYZJVRBKIEFGXEL-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.33
Rot. Bonds6

About 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide

2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide (PubChem CID 19533179) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
PubChem CID19533179
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
SMILESCc1nn(C(C)C(=O)NC(C)c2ccc(-n3cccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N5O3/c1-13(16-6-8-17(9-7-16)22-10-4-5-11-22)20-19(25)15(3)23-12-18(24(26)27)14(2)21-23/h4-13,15H,1-3H3,(H,20,25)
InChIKeyYZJVRBKIEFGXEL-UHFFFAOYSA-N
XLogP3.33
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.33
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

2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19528180
(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018442
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19469043
N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533024
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393506
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4771380
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19521089
N-(1-methylbenzimidazol-2-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533055
(2R)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 98331541
1-[(2-nitrophenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19274107
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide (CID 19533179) is 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide is Cc1nn(C(C)C(=O)NC(C)c2ccc(-n3cccc3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
The InChIKey is YZJVRBKIEFGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13(16-6-8-17(9-7-16)22-10-4-5-11-22)20-19(25)15(3)23-12-18(24(26)27)14(2)21-23/h4-13,15H,1-3H3,(H,20,25).
What are the key properties of 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 19533179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).