4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C18H17FN4O4 — CID 19408918

IUPAC4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H17FN4O4/c1-20-18(25)16-14(9-23(2)22-16)21-17(24)15-8-7-13(27-15)10-26-12-5-3-11(19)4-6-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNRHLSQJNPODOPR-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.34
Rot. Bonds6

About 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19408918) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19408918
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H17FN4O4/c1-20-18(25)16-14(9-23(2)22-16)21-17(24)15-8-7-13(27-15)10-26-12-5-3-11(19)4-6-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNRHLSQJNPODOPR-UHFFFAOYSA-N
XLogP2.34
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19450675
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19459051
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410621
N-(furan-2-ylmethyl)-1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19400500
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19292297
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
4-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398411
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19408918) is 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is NRHLSQJNPODOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-20-18(25)16-14(9-23(2)22-16)21-17(24)15-8-7-13(27-15)10-26-12-5-3-11(19)4-6-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19408918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).