methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate

C14H16N4O3 — CID 62112057

IUPACmethyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc(N)n2)c(C)c1
InChIInChI=1S/C14H16N4O3/c1-9-7-10(14(20)21-2)3-4-11(9)16-13(19)8-18-6-5-12(15)17-18/h3-7H,8H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyBZTXOWKCOYNXAO-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.20
Rot. Bonds4

About methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate

methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate (PubChem CID 62112057) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
PubChem CID62112057
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc(N)n2)c(C)c1
InChIInChI=1S/C14H16N4O3/c1-9-7-10(14(20)21-2)3-4-11(9)16-13(19)8-18-6-5-12(15)17-18/h3-7H,8H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyBZTXOWKCOYNXAO-UHFFFAOYSA-N
XLogP1.20
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
CID 62100724
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 62113370
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 62102210
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
methyl 4-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylbenzoate
CID 36930835
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 63618199
methyl 4-(6-bromohexanoylamino)-3-methylbenzoate
CID 69206251

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate (CID 62112057) is methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)Cn2ccc(N)n2)c(C)c1.
What is the InChIKey of methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate?
The InChIKey is BZTXOWKCOYNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-10(14(20)21-2)3-4-11(9)16-13(19)8-18-6-5-12(15)17-18/h3-7H,8H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate?
methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate has a molecular weight of 288.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate is sourced from PubChem (CID 62112057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).