4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide

C11H20N4O2 — CID 66119069

IUPAC4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC(C)O)c1N
InChIInChI=1S/C11H20N4O2/c1-5-8-9(12)10(15(4)13-8)11(17)14(3)6-7(2)16/h7,16H,5-6,12H2,1-4H3
InChIKeyXHWUCRJIAUSJAA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.02
Rot. Bonds4

About 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide

4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66119069) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66119069
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC(C)O)c1N
InChIInChI=1S/C11H20N4O2/c1-5-8-9(12)10(15(4)13-8)11(17)14(3)6-7(2)16/h7,16H,5-6,12H2,1-4H3
InChIKeyXHWUCRJIAUSJAA-UHFFFAOYSA-N
XLogP0.02
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide (CID 66119069) is 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CC(C)O)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is XHWUCRJIAUSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-8-9(12)10(15(4)13-8)11(17)14(3)6-7(2)16/h7,16H,5-6,12H2,1-4H3.
What are the key properties of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66119069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).