N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide

C20H21ClN4O5 — CID 19450147

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2ccc(COc3ccc([N+](=O)[O-])c(C)c3)o2)n1
InChIInChI=1S/C20H21ClN4O5/c1-4-24-10-16(21)17(22-24)11-23(3)20(26)19-8-6-15(30-19)12-29-14-5-7-18(25(27)28)13(2)9-14/h5-10H,4,11-12H2,1-3H3
InChIKeyUXIREAZFOGGFEA-UHFFFAOYSA-N
MW432.86 g/mol
LogP4.22
Rot. Bonds8

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19450147) has the molecular formula C20H21ClN4O5 and a molecular weight of 432.86 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19450147
Molecular FormulaC20H21ClN4O5
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2ccc(COc3ccc([N+](=O)[O-])c(C)c3)o2)n1
InChIInChI=1S/C20H21ClN4O5/c1-4-24-10-16(21)17(22-24)11-23(3)20(26)19-8-6-15(30-19)12-29-14-5-7-18(25(27)28)13(2)9-14/h5-10H,4,11-12H2,1-3H3
InChIKeyUXIREAZFOGGFEA-UHFFFAOYSA-N
XLogP4.22
TPSA103.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.22
H-Bond Donors ≤ 50
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

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19332951
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19450097
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450062
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451904
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451903
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 7015957
N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461733
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451842
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19451972
N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461738
N-(1,3-dimethylpyrazol-4-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346174
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19460542

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide (CID 19450147) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide is CCn1cc(Cl)c(CN(C)C(=O)c2ccc(COc3ccc([N+](=O)[O-])c(C)c3)o2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is UXIREAZFOGGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5/c1-4-24-10-16(21)17(22-24)11-23(3)20(26)19-8-6-15(30-19)12-29-14-5-7-18(25(27)28)13(2)9-14/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 432.86 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19450147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).