4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide

C11H20N4O2 — CID 113449775

IUPAC4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCOC(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-4-8-9(12)10(15-14-8)11(16)13-5-6-17-7(2)3/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBDGHVEXVBKDHHW-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.71
Rot. Bonds6

About 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide (PubChem CID 113449775) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
PubChem CID113449775
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCOC(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-4-8-9(12)10(15-14-8)11(16)13-5-6-17-7(2)3/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBDGHVEXVBKDHHW-UHFFFAOYSA-N
XLogP0.71
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide (CID 113449775) is 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCOC(C)C)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BDGHVEXVBKDHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-8-9(12)10(15-14-8)11(16)13-5-6-17-7(2)3/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 113449775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).