N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide

C12H10F2N4O3 — CID 60573218

IUPACN-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N4O3/c13-8-3-9(14)5-10(4-8)16-12(19)1-2-17-7-11(6-15-17)18(20)21/h3-7H,1-2H2,(H,16,19)
InChIKeyNZKWNJRZPSZPNY-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.10
Rot. Bonds5

About N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide

N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 60573218) has the molecular formula C12H10F2N4O3 and a molecular weight of 296.23 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID60573218
Molecular FormulaC12H10F2N4O3
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC NameN-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N4O3/c13-8-3-9(14)5-10(4-8)16-12(19)1-2-17-7-11(6-15-17)18(20)21/h3-7H,1-2H2,(H,16,19)
InChIKeyNZKWNJRZPSZPNY-UHFFFAOYSA-N
XLogP2.10
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.10
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-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555581
N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 86786035
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71869130
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19403924
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60573431
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
N-[3-(3-methylphenoxy)-5-nitrophenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555530
3-(4-chloropyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19542075
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
3-(4-nitropyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide
CID 19555529
2-ethyl-N-[3-[3-(4-nitropyrazol-1-yl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19555628

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide (CID 60573218) is N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide is O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is NZKWNJRZPSZPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O3/c13-8-3-9(14)5-10(4-8)16-12(19)1-2-17-7-11(6-15-17)18(20)21/h3-7H,1-2H2,(H,16,19).
What are the key properties of N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 296.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 60573218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).