4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide

C12H20N4O2 — CID 102804713

IUPAC4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C12H20N4O2/c1-9-10(7-16(2)15-9)14-11(17)12(8-13)3-5-18-6-4-12/h7H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyHBYAWRSNLOVLBJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.42
Rot. Bonds3

About 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide (PubChem CID 102804713) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide
PubChem CID102804713
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C12H20N4O2/c1-9-10(7-16(2)15-9)14-11(17)12(8-13)3-5-18-6-4-12/h7H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyHBYAWRSNLOVLBJ-UHFFFAOYSA-N
XLogP0.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide (CID 102804713) is 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide is Cc1nn(C)cc1NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide?
The InChIKey is HBYAWRSNLOVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-10(7-16(2)15-9)14-11(17)12(8-13)3-5-18-6-4-12/h7H,3-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide is sourced from PubChem (CID 102804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).