4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide

C11H17N5O3 — CID 83094033

IUPAC4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide
SMILESCc1nn(C)c(C(=O)N2CCOCC2C(N)=O)c1N
InChIInChI=1S/C11H17N5O3/c1-6-8(12)9(15(2)14-6)11(18)16-3-4-19-5-7(16)10(13)17/h7H,3-5,12H2,1-2H3,(H2,13,17)
InChIKeyLMXKHFZTTHWAQV-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.36
Rot. Bonds2

About 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide

4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide (PubChem CID 83094033) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide
PubChem CID83094033
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide
SMILESCc1nn(C)c(C(=O)N2CCOCC2C(N)=O)c1N
InChIInChI=1S/C11H17N5O3/c1-6-8(12)9(15(2)14-6)11(18)16-3-4-19-5-7(16)10(13)17/h7H,3-5,12H2,1-2H3,(H2,13,17)
InChIKeyLMXKHFZTTHWAQV-UHFFFAOYSA-N
XLogP-1.36
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide (CID 83094033) is 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide is Cc1nn(C)c(C(=O)N2CCOCC2C(N)=O)c1N.
What is the InChIKey of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide?
The InChIKey is LMXKHFZTTHWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-6-8(12)9(15(2)14-6)11(18)16-3-4-19-5-7(16)10(13)17/h7H,3-5,12H2,1-2H3,(H2,13,17).
What are the key properties of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide?
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83094033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).