5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide

C14H16N6O3 — CID 86701913

IUPAC5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCOC(=O)C3)cc2)n[nH]c1N
InChIInChI=1S/C14H16N6O3/c15-12-11(13(16)22)14(19-18-12)17-8-1-3-9(4-2-8)20-5-6-23-10(21)7-20/h1-4H,5-7H2,(H2,16,22)(H4,15,17,18,19)
InChIKeyMNWLNJYVXYCYSI-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.20
Rot. Bonds4

About 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide

5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 86701913) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID86701913
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCOC(=O)C3)cc2)n[nH]c1N
InChIInChI=1S/C14H16N6O3/c15-12-11(13(16)22)14(19-18-12)17-8-1-3-9(4-2-8)20-5-6-23-10(21)7-20/h1-4H,5-7H2,(H2,16,22)(H4,15,17,18,19)
InChIKeyMNWLNJYVXYCYSI-UHFFFAOYSA-N
XLogP0.20
TPSA139.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide (CID 86701913) is 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccc(N3CCOC(=O)C3)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is MNWLNJYVXYCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c15-12-11(13(16)22)14(19-18-12)17-8-1-3-9(4-2-8)20-5-6-23-10(21)7-20/h1-4H,5-7H2,(H2,16,22)(H4,15,17,18,19).
What are the key properties of 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide?
5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(2-oxomorpholin-4-yl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).