1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid

C21H17N3O5 — CID 19405995

IUPAC1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c1C(=O)O
InChIInChI=1S/C21H17N3O5/c1-24-19(21(26)27)16(11-22-24)23-20(25)18-10-9-14(29-18)12-28-17-8-4-6-13-5-2-3-7-15(13)17/h2-11H,12H2,1H3,(H,23,25)(H,26,27)
InChIKeyQKRXIGJQPGEMHI-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.70
Rot. Bonds6

About 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid

1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid (PubChem CID 19405995) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
PubChem CID19405995
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c1C(=O)O
InChIInChI=1S/C21H17N3O5/c1-24-19(21(26)27)16(11-22-24)23-20(25)18-10-9-14(29-18)12-28-17-8-4-6-13-5-2-3-7-15(13)17/h2-11H,12H2,1H3,(H,23,25)(H,26,27)
InChIKeyQKRXIGJQPGEMHI-UHFFFAOYSA-N
XLogP3.70
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
1-methyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19406103
N-(1-methylbenzimidazol-2-yl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412863
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19337030
1-methyl-4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19412346
N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412834
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19400405
1-methyl-N-(2-methylpropyl)-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 17024108
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid (CID 19405995) is 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid is Cn1ncc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid?
The InChIKey is QKRXIGJQPGEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-24-19(21(26)27)16(11-22-24)23-20(25)18-10-9-14(29-18)12-28-17-8-4-6-13-5-2-3-7-15(13)17/h2-11H,12H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid?
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid has a molecular weight of 391.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19405995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).