methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate

C14H15N3O3 — CID 60712516

IUPACmethyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-20-12(18)7-8-15-14(19)11-9-16-17-13(11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyUNCOWPFALSJBSL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.37
Rot. Bonds5

About methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate

methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate (PubChem CID 60712516) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
PubChem CID60712516
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-20-12(18)7-8-15-14(19)11-9-16-17-13(11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyUNCOWPFALSJBSL-UHFFFAOYSA-N
XLogP1.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate (CID 60712516) is methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The InChIKey is UNCOWPFALSJBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-12(18)7-8-15-14(19)11-9-16-17-13(11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate has a molecular weight of 273.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 60712516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).