methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate

C15H19N5O5 — CID 56793025

IUPACmethyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(NC(=O)NC(C)C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H19N5O5/c1-10(14(22)16-8-11-4-3-7-25-11)17-15(23)18-12-5-6-20(19-12)9-13(21)24-2/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H2,17,18,19,23)
InChIKeyASISVAZYXWMERV-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.48
Rot. Bonds7

About methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate

methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate (PubChem CID 56793025) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate
PubChem CID56793025
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Namemethyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(NC(=O)NC(C)C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H19N5O5/c1-10(14(22)16-8-11-4-3-7-25-11)17-15(23)18-12-5-6-20(19-12)9-13(21)24-2/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H2,17,18,19,23)
InChIKeyASISVAZYXWMERV-UHFFFAOYSA-N
XLogP0.48
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate with MolForge

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95239498
methyl 2-[3-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoylamino]pyrazol-1-yl]acetate
CID 122150516
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497
methyl 2-[3-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]acetate
CID 86804435
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate (CID 56793025) is methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate is COC(=O)Cn1ccc(NC(=O)NC(C)C(=O)NCc2ccco2)n1.
What is the InChIKey of methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate?
The InChIKey is ASISVAZYXWMERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-10(14(22)16-8-11-4-3-7-25-11)17-15(23)18-12-5-6-20(19-12)9-13(21)24-2/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H2,17,18,19,23).
What are the key properties of methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate?
methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate has a molecular weight of 349.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate is sourced from PubChem (CID 56793025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).