methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate

C14H17N3O4 — CID 79085827

IUPACmethyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)n2ccc(C(=O)N(C)C)n2)o1
InChIInChI=1S/C14H17N3O4/c1-9(11-5-6-12(21-11)14(19)20-4)17-8-7-10(15-17)13(18)16(2)3/h5-9H,1-4H3
InChIKeyDZFGVUHEWGGVIE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.57
Rot. Bonds4

About methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate

methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate (PubChem CID 79085827) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
PubChem CID79085827
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)n2ccc(C(=O)N(C)C)n2)o1
InChIInChI=1S/C14H17N3O4/c1-9(11-5-6-12(21-11)14(19)20-4)17-8-7-10(15-17)13(18)16(2)3/h5-9H,1-4H3
InChIKeyDZFGVUHEWGGVIE-UHFFFAOYSA-N
XLogP1.57
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
CID 79084342
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64781304
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
methyl 5-[1-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]furan-2-carboxylate
CID 112726669
1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781879
methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
CID 106945906
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate
CID 79083735
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate (CID 79085827) is methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)n2ccc(C(=O)N(C)C)n2)o1.
What is the InChIKey of methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate?
The InChIKey is DZFGVUHEWGGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9(11-5-6-12(21-11)14(19)20-4)17-8-7-10(15-17)13(18)16(2)3/h5-9H,1-4H3.
What are the key properties of methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate?
methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79085827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).