4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide

C14H26N4O2 — CID 106006154

IUPAC4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCCCOC(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-11-12(15)13(18(4)17-11)14(19)16-8-6-7-9-20-10(2)3/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyHVWDTHGWUOGACN-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.50
Rot. Bonds8

About 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide (PubChem CID 106006154) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
PubChem CID106006154
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCCCOC(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-11-12(15)13(18(4)17-11)14(19)16-8-6-7-9-20-10(2)3/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyHVWDTHGWUOGACN-UHFFFAOYSA-N
XLogP1.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide (CID 106006154) is 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCCCOC(C)C)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide?
The InChIKey is HVWDTHGWUOGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-11-12(15)13(18(4)17-11)14(19)16-8-6-7-9-20-10(2)3/h10H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 106006154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).