(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide

C12H16N4O4S — CID 118741297

IUPAC(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C12H16N4O4S/c1-8(16-21(2,18)19)12(17)13-7-9-6-10(15-14-9)11-4-3-5-20-11/h3-6,8,16H,7H2,1-2H3,(H,13,17)(H,14,15)/t8-/m0/s1
InChIKeyVQSHFZLGJBJEAG-QMMMGPOBSA-N
MW312.35 g/mol
LogP0.22
Rot. Bonds6

About (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide

(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide (PubChem CID 118741297) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide
PubChem CID118741297
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C12H16N4O4S/c1-8(16-21(2,18)19)12(17)13-7-9-6-10(15-14-9)11-4-3-5-20-11/h3-6,8,16H,7H2,1-2H3,(H,13,17)(H,14,15)/t8-/m0/s1
InChIKeyVQSHFZLGJBJEAG-QMMMGPOBSA-N
XLogP0.22
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
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CID 5307834
N-(furan-2-ylmethyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 8867965
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
CID 19513871
N-Benzyl-3-(furan-2-YL)-N-methyl-1H-pyrazole-5-carboxamide
CID 20918213
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 53538261
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 53554864
(2S,4S)-4-amino-N-ethyl-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}pyrrolidine-2-carboxamide
CID 56709916
N-{[(2R)-1-Ethylpyrrolidin-2-YL]methyl}-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56753034
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carboxamide
CID 70781127
(4aR*,7aS*)-1-ethyl-4-{[3-(5-methyl-2-furyl)-1H-pyrazol-5-yl]carbonyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70786420

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide (CID 118741297) is (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide is C[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1.
What is the InChIKey of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide?
The InChIKey is VQSHFZLGJBJEAG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-8(16-21(2,18)19)12(17)13-7-9-6-10(15-14-9)11-4-3-5-20-11/h3-6,8,16H,7H2,1-2H3,(H,13,17)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide?
(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide has a molecular weight of 312.35 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 118741297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).