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

C15H21N5O3 — CID 118774786

IUPAC5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCCc1nn(C)c(NC(=O)NCc2ccc(C(=O)NC)o2)c1C
InChIInChI=1S/C15H21N5O3/c1-5-11-9(2)13(20(4)19-11)18-15(22)17-8-10-6-7-12(23-10)14(21)16-3/h6-7H,5,8H2,1-4H3,(H,16,21)(H2,17,18,22)
InChIKeySJGLBBJFQXAKOG-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.57
Rot. Bonds5

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

5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 118774786) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
PubChem CID118774786
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCCc1nn(C)c(NC(=O)NCc2ccc(C(=O)NC)o2)c1C
InChIInChI=1S/C15H21N5O3/c1-5-11-9(2)13(20(4)19-11)18-15(22)17-8-10-6-7-12(23-10)14(21)16-3/h6-7H,5,8H2,1-4H3,(H,16,21)(H2,17,18,22)
InChIKeySJGLBBJFQXAKOG-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
CID 118765939
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea
CID 118793553
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea
CID 118772160
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
CID 134695978
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
CID 50949888
(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 154914417
3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 72855127
5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 115991264

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide (CID 118774786) is 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide is CCc1nn(C)c(NC(=O)NCc2ccc(C(=O)NC)o2)c1C.
What is the InChIKey of 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is SJGLBBJFQXAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-11-9(2)13(20(4)19-11)18-15(22)17-8-10-6-7-12(23-10)14(21)16-3/h6-7H,5,8H2,1-4H3,(H,16,21)(H2,17,18,22).
What are the key properties of 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide?
5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 118774786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).