N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide

C15H16F2N4O5 — CID 19263174

IUPACN-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
SMILESCCOc1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C15H16F2N4O5/c1-3-20-8-10(21(23)24)13(19-20)14(22)18-9-5-6-11(26-15(16)17)12(7-9)25-4-2/h5-8,15H,3-4H2,1-2H3,(H,18,22)
InChIKeySKGDFFQPIYOHBX-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.06
Rot. Bonds8

About N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide (PubChem CID 19263174) has the molecular formula C15H16F2N4O5 and a molecular weight of 370.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
PubChem CID19263174
Molecular FormulaC15H16F2N4O5
Molecular Weight370.31 g/mol
Exact Mass370.11
IUPAC NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
SMILESCCOc1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C15H16F2N4O5/c1-3-20-8-10(21(23)24)13(19-20)14(22)18-9-5-6-11(26-15(16)17)12(7-9)25-4-2/h5-8,15H,3-4H2,1-2H3,(H,18,22)
InChIKeySKGDFFQPIYOHBX-UHFFFAOYSA-N
XLogP3.06
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide
CID 19263239
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263168
N-(3-bromophenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19580041
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530659
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553602
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460913
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263994
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
CID 19518208
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550051
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide (CID 19263174) is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide is CCOc1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
The InChIKey is SKGDFFQPIYOHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O5/c1-3-20-8-10(21(23)24)13(19-20)14(22)18-9-5-6-11(26-15(16)17)12(7-9)25-4-2/h5-8,15H,3-4H2,1-2H3,(H,18,22).
What are the key properties of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19263174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).