methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate

C11H12N4O2 — CID 10376624

IUPACmethyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(Nc2ccccc2)n[nH]c1N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)8-9(12)14-15-10(8)13-7-5-3-2-4-6-7/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyYQSAPRVJGGXGDL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.52
Rot. Bonds3

About methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate

methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate (PubChem CID 10376624) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate
PubChem CID10376624
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(Nc2ccccc2)n[nH]c1N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)8-9(12)14-15-10(8)13-7-5-3-2-4-6-7/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyYQSAPRVJGGXGDL-UHFFFAOYSA-N
XLogP1.52
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate (CID 10376624) is methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate is COC(=O)c1c(Nc2ccccc2)n[nH]c1N.
What is the InChIKey of methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate?
The InChIKey is YQSAPRVJGGXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11(16)8-9(12)14-15-10(8)13-7-5-3-2-4-6-7/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate?
methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 10376624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).