4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide

C11H20N4O2 — CID 65357049

IUPAC4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(CCO)C(C)C
InChIInChI=1S/C11H20N4O2/c1-4-15-10(9(12)7-13-15)11(17)14(5-6-16)8(2)3/h7-8,16H,4-6,12H2,1-3H3
InChIKeyNMWRCAZYBRFMLE-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.33
Rot. Bonds5

About 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide

4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 65357049) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID65357049
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(CCO)C(C)C
InChIInChI=1S/C11H20N4O2/c1-4-15-10(9(12)7-13-15)11(17)14(5-6-16)8(2)3/h7-8,16H,4-6,12H2,1-3H3
InChIKeyNMWRCAZYBRFMLE-UHFFFAOYSA-N
XLogP0.33
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide (CID 65357049) is 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(CCO)C(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is NMWRCAZYBRFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-15-10(9(12)7-13-15)11(17)14(5-6-16)8(2)3/h7-8,16H,4-6,12H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 65357049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).