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

C19H19ClN4O5 — CID 19460542

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)Cc3c(Cl)cnn3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19ClN4O5/c1-12-4-6-17(15(8-12)24(26)27)28-11-13-5-7-18(29-13)19(25)22(2)10-16-14(20)9-21-23(16)3/h4-9H,10-11H2,1-3H3
InChIKeyOFMQDPWFZAFEBS-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.73
Rot. Bonds7

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

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19460542) has the molecular formula C19H19ClN4O5 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19460542
Molecular FormulaC19H19ClN4O5
Molecular Weight418.84 g/mol
Exact Mass418.10
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)Cc3c(Cl)cnn3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19ClN4O5/c1-12-4-6-17(15(8-12)24(26)27)28-11-13-5-7-18(29-13)19(25)22(2)10-16-14(20)9-21-23(16)3/h4-9H,10-11H2,1-3H3
InChIKeyOFMQDPWFZAFEBS-UHFFFAOYSA-N
XLogP3.73
TPSA103.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.73
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-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4865546
N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19452093
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19460792
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19460635
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533
5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 580014
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19464609
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19464611

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (CID 19460542) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)N(C)Cc3c(Cl)cnn3C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is OFMQDPWFZAFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O5/c1-12-4-6-17(15(8-12)24(26)27)28-11-13-5-7-18(29-13)19(25)22(2)10-16-14(20)9-21-23(16)3/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19460542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).