N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide

C17H15FN4O4 — CID 47024710

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O4/c1-10(20-17(23)15-7-8-16(26-15)22(24)25)14-9-19-21(11(14)2)13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,20,23)
InChIKeyBRJGEHDLBWIPPS-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.31
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide (PubChem CID 47024710) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide
PubChem CID47024710
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O4/c1-10(20-17(23)15-7-8-16(26-15)22(24)25)14-9-19-21(11(14)2)13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,20,23)
InChIKeyBRJGEHDLBWIPPS-UHFFFAOYSA-N
XLogP3.31
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.31
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

4-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-nitrobenzamide
CID 55578069
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55592791
4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 42392061
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
CID 55592587
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]propanamide
CID 86944259
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
CID 129370928

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide (CID 47024710) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide is Cc1c(C(C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is BRJGEHDLBWIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c1-10(20-17(23)15-7-8-16(26-15)22(24)25)14-9-19-21(11(14)2)13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 358.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 47024710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).