methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate

C13H14N4O3 — CID 62100724

IUPACmethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H14N4O3/c1-20-13(19)9-4-2-3-5-10(9)15-12(18)8-17-7-6-11(14)16-17/h2-7H,8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyPHNLOBCSEFTKDA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.89
Rot. Bonds4

About methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate (PubChem CID 62100724) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
PubChem CID62100724
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H14N4O3/c1-20-13(19)9-4-2-3-5-10(9)15-12(18)8-17-7-6-11(14)16-17/h2-7H,8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyPHNLOBCSEFTKDA-UHFFFAOYSA-N
XLogP0.89
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491
methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
CID 62112057
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 62102362
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 62113370
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
methyl 2-[[2-(4-formylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995831
ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 63618199
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate (CID 62100724) is methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1ccc(N)n1.
What is the InChIKey of methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate?
The InChIKey is PHNLOBCSEFTKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-13(19)9-4-2-3-5-10(9)15-12(18)8-17-7-6-11(14)16-17/h2-7H,8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate has a molecular weight of 274.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 62100724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).