(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide

C12H10Cl2N4O3 — CID 7366681

IUPAC(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H10Cl2N4O3/c1-7(17-6-8(5-15-17)18(20)21)12(19)16-10-4-2-3-9(13)11(10)14/h2-7H,1H3,(H,16,19)/t7-/m1/s1
InChIKeyQDYPBMGXRMEERX-SSDOTTSWSA-N
MW329.14 g/mol
LogP3.30
Rot. Bonds4

About (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide

(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 7366681) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID7366681
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC Name(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H10Cl2N4O3/c1-7(17-6-8(5-15-17)18(20)21)12(19)16-10-4-2-3-9(13)11(10)14/h2-7H,1H3,(H,16,19)/t7-/m1/s1
InChIKeyQDYPBMGXRMEERX-SSDOTTSWSA-N
XLogP3.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.30
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

(2R)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19534215
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
2-(4-nitropyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4915850
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528874
2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 75517792
1-(4-chlorophenyl)-2-(4-nitropyrazol-1-yl)propan-1-one
CID 62017114

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide (CID 7366681) is (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide is C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is QDYPBMGXRMEERX-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c1-7(17-6-8(5-15-17)18(20)21)12(19)16-10-4-2-3-9(13)11(10)14/h2-7H,1H3,(H,16,19)/t7-/m1/s1.
What are the key properties of (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide?
(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 329.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 7366681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).