4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C21H23ClN4O4 — CID 95747738

IUPAC4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)ccc1Cl
InChIInChI=1S/C21H23ClN4O4/c1-12-10-14(6-8-16(12)22)29-11-15-7-9-17(30-15)20(27)23-18-13(2)26(5)24-19(18)21(28)25(3)4/h6-10H,11H2,1-5H3,(H,23,27)
InChIKeyDWLGPVGXUGUVAD-UHFFFAOYSA-N
MW430.89 g/mol
LogP3.82
Rot. Bonds6

About 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 95747738) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID95747738
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)ccc1Cl
InChIInChI=1S/C21H23ClN4O4/c1-12-10-14(6-8-16(12)22)29-11-15-7-9-17(30-15)20(27)23-18-13(2)26(5)24-19(18)21(28)25(3)4/h6-10H,11H2,1-5H3,(H,23,27)
InChIKeyDWLGPVGXUGUVAD-UHFFFAOYSA-N
XLogP3.82
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide with MolForge

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Related Compounds

4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747745
methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748102
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417083
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417154
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393451
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417132
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 95747738) is 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is Cc1cc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)ccc1Cl.
What is the InChIKey of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is DWLGPVGXUGUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-12-10-14(6-8-16(12)22)29-11-15-7-9-17(30-15)20(27)23-18-13(2)26(5)24-19(18)21(28)25(3)4/h6-10H,11H2,1-5H3,(H,23,27).
What are the key properties of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 430.89 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 95747738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).