cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate

C13H20N4O3 — CID 23401122

IUPACcyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCC(NC(=O)c1cn[nH]c1N)C(=O)OC1CCCCC1
InChIInChI=1S/C13H20N4O3/c1-8(13(19)20-9-5-3-2-4-6-9)16-12(18)10-7-15-17-11(10)14/h7-9H,2-6H2,1H3,(H,16,18)(H3,14,15,17)
InChIKeyWLZFFYWQXCSDBA-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.99
Rot. Bonds4

About cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate

cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate (PubChem CID 23401122) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namecyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate
PubChem CID23401122
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namecyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCC(NC(=O)c1cn[nH]c1N)C(=O)OC1CCCCC1
InChIInChI=1S/C13H20N4O3/c1-8(13(19)20-9-5-3-2-4-6-9)16-12(18)10-7-15-17-11(10)14/h7-9H,2-6H2,1H3,(H,16,18)(H3,14,15,17)
InChIKeyWLZFFYWQXCSDBA-UHFFFAOYSA-N
XLogP0.99
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate (CID 23401122) is cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate is CC(NC(=O)c1cn[nH]c1N)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate?
The InChIKey is WLZFFYWQXCSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(13(19)20-9-5-3-2-4-6-9)16-12(18)10-7-15-17-11(10)14/h7-9H,2-6H2,1H3,(H,16,18)(H3,14,15,17).
What are the key properties of cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate?
cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate has a molecular weight of 280.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 23401122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).