methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate

C20H19N3O6 — CID 74225855

IUPACmethyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NC(=O)[C@H](OC(C)=O)c3ccccc3)cn2)o1
InChIInChI=1S/C20H19N3O6/c1-13(24)28-18(14-6-4-3-5-7-14)19(25)22-15-10-21-23(11-15)12-16-8-9-17(29-16)20(26)27-2/h3-11,18H,12H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyPMYJHBZRBLMLPU-GOSISDBHSA-N
MW397.39 g/mol
LogP2.55
Rot. Bonds7

About methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 74225855) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID74225855
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Namemethyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NC(=O)[C@H](OC(C)=O)c3ccccc3)cn2)o1
InChIInChI=1S/C20H19N3O6/c1-13(24)28-18(14-6-4-3-5-7-14)19(25)22-15-10-21-23(11-15)12-16-8-9-17(29-16)20(26)27-2/h3-11,18H,12H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyPMYJHBZRBLMLPU-GOSISDBHSA-N
XLogP2.55
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3316572
methyl 5-[[4-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418419
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3762041
methyl 5-[[4-[(2-chloro-3,4-dimethoxybenzoyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3422017
methyl 5-[[4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418416
methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418415
naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
CID 42645812
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
CID 43777055
methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3819625
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate (CID 74225855) is methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cc(NC(=O)[C@H](OC(C)=O)c3ccccc3)cn2)o1.
What is the InChIKey of methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is PMYJHBZRBLMLPU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-13(24)28-18(14-6-4-3-5-7-14)19(25)22-15-10-21-23(11-15)12-16-8-9-17(29-16)20(26)27-2/h3-11,18H,12H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 74225855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).