N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide

C11H9Cl2N5O3 — CID 71869130

IUPACN-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(Cl)cn1
InChIInChI=1S/C11H9Cl2N5O3/c12-8-3-10(14-5-9(8)13)16-11(19)1-2-17-6-7(4-15-17)18(20)21/h3-6H,1-2H2,(H,14,16,19)
InChIKeyUPUWSUHIIOOXCC-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.52
Rot. Bonds5

About N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide

N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 71869130) has the molecular formula C11H9Cl2N5O3 and a molecular weight of 330.13 g/mol. Its IUPAC name is N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID71869130
Molecular FormulaC11H9Cl2N5O3
Molecular Weight330.13 g/mol
Exact Mass329.01
IUPAC NameN-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(Cl)cn1
InChIInChI=1S/C11H9Cl2N5O3/c12-8-3-10(14-5-9(8)13)16-11(19)1-2-17-6-7(4-15-17)18(20)21/h3-6H,1-2H2,(H,14,16,19)
InChIKeyUPUWSUHIIOOXCC-UHFFFAOYSA-N
XLogP2.52
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.52
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

N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 86786035
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555597
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555640
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71994013
3-(4-chloropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19542063
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
3-(4-chloropyrazol-1-yl)-N-(2-cyano-4-nitrophenyl)propanamide
CID 19539686
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19403924

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide (CID 71869130) is N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide is O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(Cl)cn1.
What is the InChIKey of N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is UPUWSUHIIOOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O3/c12-8-3-10(14-5-9(8)13)16-11(19)1-2-17-6-7(4-15-17)18(20)21/h3-6H,1-2H2,(H,14,16,19).
What are the key properties of N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 330.13 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 71869130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).