methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate

C15H19N3O2 — CID 165485600

IUPACmethyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)nn(-c2ccc(C)cc2)c1N
InChIInChI=1S/C15H19N3O2/c1-4-5-12-13(15(19)20-3)17-18(14(12)16)11-8-6-10(2)7-9-11/h6-9H,4-5,16H2,1-3H3
InChIKeyJNDXOFBHDCEIQI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.50
Rot. Bonds4

About methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate

methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate (PubChem CID 165485600) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate
PubChem CID165485600
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)nn(-c2ccc(C)cc2)c1N
InChIInChI=1S/C15H19N3O2/c1-4-5-12-13(15(19)20-3)17-18(14(12)16)11-8-6-10(2)7-9-11/h6-9H,4-5,16H2,1-3H3
InChIKeyJNDXOFBHDCEIQI-UHFFFAOYSA-N
XLogP2.50
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate (CID 165485600) is methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate is CCCc1c(C(=O)OC)nn(-c2ccc(C)cc2)c1N.
What is the InChIKey of methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate?
The InChIKey is JNDXOFBHDCEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-5-12-13(15(19)20-3)17-18(14(12)16)11-8-6-10(2)7-9-11/h6-9H,4-5,16H2,1-3H3.
What are the key properties of methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate?
methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate is sourced from PubChem (CID 165485600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).