2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide

C13H10F4N4O3 — CID 19538689

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H10F4N4O3/c1-5-3-9(21(23)24)19-20(5)6(2)13(22)18-12-10(16)7(14)4-8(15)11(12)17/h3-4,6H,1-2H3,(H,18,22)
InChIKeyMPOLTEIZZBSAJR-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.86
Rot. Bonds4

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide (PubChem CID 19538689) has the molecular formula C13H10F4N4O3 and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
PubChem CID19538689
Molecular FormulaC13H10F4N4O3
Molecular Weight346.24 g/mol
Exact Mass346.07
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H10F4N4O3/c1-5-3-9(21(23)24)19-20(5)6(2)13(22)18-12-10(16)7(14)4-8(15)11(12)17/h3-4,6H,1-2H3,(H,18,22)
InChIKeyMPOLTEIZZBSAJR-UHFFFAOYSA-N
XLogP2.86
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
4-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19585185
N-(4-chloro-2-nitrophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538750
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19338085
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19538711
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538891
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide (CID 19538689) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide is Cc1cc([N+](=O)[O-])nn1C(C)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The InChIKey is MPOLTEIZZBSAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O3/c1-5-3-9(21(23)24)19-20(5)6(2)13(22)18-12-10(16)7(14)4-8(15)11(12)17/h3-4,6H,1-2H3,(H,18,22).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide has a molecular weight of 346.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide is sourced from PubChem (CID 19538689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).