4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide

C13H24N4O2 — CID 65359199

IUPAC4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCOCCC(C)C
InChIInChI=1S/C13H24N4O2/c1-4-17-12(11(14)9-16-17)13(18)15-6-8-19-7-5-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyLYXBDZFTAWKFRD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds8

About 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide (PubChem CID 65359199) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide
PubChem CID65359199
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCOCCC(C)C
InChIInChI=1S/C13H24N4O2/c1-4-17-12(11(14)9-16-17)13(18)15-6-8-19-7-5-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyLYXBDZFTAWKFRD-UHFFFAOYSA-N
XLogP1.28
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
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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Related Compounds

4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 65359115
4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 65357697
4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide
CID 65358711
4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 132586745
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445
4-amino-1-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413375
4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 114107119
4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 113412354
4-amino-1-ethyl-N-(2-piperidin-1-ylpropyl)pyrazole-5-carboxamide
CID 65357655

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide (CID 65359199) is 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCOCCC(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide?
The InChIKey is LYXBDZFTAWKFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-17-12(11(14)9-16-17)13(18)15-6-8-19-7-5-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.28, 8 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-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65359199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).