5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide

C15H21N5O3 — CID 118765939

IUPAC5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)NCc2ccc(C(=O)NC)o2)c1C
InChIInChI=1S/C15H21N5O3/c1-5-20-10(3)13(9(2)19-20)18-15(22)17-8-11-6-7-12(23-11)14(21)16-4/h6-7H,5,8H2,1-4H3,(H,16,21)(H2,17,18,22)
InChIKeyKDCTXXHNWNXISS-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.79
Rot. Bonds5

About 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide

5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 118765939) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
PubChem CID118765939
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)NCc2ccc(C(=O)NC)o2)c1C
InChIInChI=1S/C15H21N5O3/c1-5-20-10(3)13(9(2)19-20)18-15(22)17-8-11-6-7-12(23-11)14(21)16-4/h6-7H,5,8H2,1-4H3,(H,16,21)(H2,17,18,22)
InChIKeyKDCTXXHNWNXISS-UHFFFAOYSA-N
XLogP1.79
TPSA101.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
CID 118774786
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 841537
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19620454
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19407842
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
CID 50949888

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide (CID 118765939) is 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide is CCn1nc(C)c(NC(=O)NCc2ccc(C(=O)NC)o2)c1C.
What is the InChIKey of 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is KDCTXXHNWNXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-20-10(3)13(9(2)19-20)18-15(22)17-8-11-6-7-12(23-11)14(21)16-4/h6-7H,5,8H2,1-4H3,(H,16,21)(H2,17,18,22).
What are the key properties of 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 118765939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).