(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide

C15H15BrN6O3 — CID 7305681

IUPAC(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H15BrN6O3/c1-8-13(16)14(22(24)25)20-21(8)9(2)15(23)17-7-12-18-10-5-3-4-6-11(10)19-12/h3-6,9H,7H2,1-2H3,(H,17,23)(H,18,19)/t9-/m1/s1
InChIKeyGFRZFWBAGDRZQN-SECBINFHSA-N
MW407.23 g/mol
LogP2.62
Rot. Bonds5

About (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide

(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 7305681) has the molecular formula C15H15BrN6O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID7305681
Molecular FormulaC15H15BrN6O3
Molecular Weight407.23 g/mol
Exact Mass406.04
IUPAC Name(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H15BrN6O3/c1-8-13(16)14(22(24)25)20-21(8)9(2)15(23)17-7-12-18-10-5-3-4-6-11(10)19-12/h3-6,9H,7H2,1-2H3,(H,17,23)(H,18,19)/t9-/m1/s1
InChIKeyGFRZFWBAGDRZQN-SECBINFHSA-N
XLogP2.62
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
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'}

Analyze (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 1259182
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 2980658
(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 7366781
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N-(1H-benzimidazol-2-ylmethyl)-2-(3-bromo-2-methylindol-1-yl)acetamide
CID 60520299
N-(1H-benzimidazol-2-ylmethyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 5302274
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
CID 103854329
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 113220506
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918
N-(1H-benzimidazol-2-ylmethyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 78913198

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide (CID 7305681) is (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide is Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is GFRZFWBAGDRZQN-SECBINFHSA-N. The full InChI is InChI=1S/C15H15BrN6O3/c1-8-13(16)14(22(24)25)20-21(8)9(2)15(23)17-7-12-18-10-5-3-4-6-11(10)19-12/h3-6,9H,7H2,1-2H3,(H,17,23)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide?
(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 407.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 7305681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).