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

C15H20N4O2 — CID 65358711

IUPAC4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C15H20N4O2/c1-3-19-14(13(16)10-18-19)15(20)17-7-8-21-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8,16H2,1-2H3,(H,17,20)
InChIKeyPHJYUBXPSVRULV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.60
Rot. Bonds6

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

4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide (PubChem CID 65358711) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide
PubChem CID65358711
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C15H20N4O2/c1-3-19-14(13(16)10-18-19)15(20)17-7-8-21-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8,16H2,1-2H3,(H,17,20)
InChIKeyPHJYUBXPSVRULV-UHFFFAOYSA-N
XLogP1.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.60
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

2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
CID 66011672
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
3-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 105071680
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
CID 103186858
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 65357594
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide (CID 65358711) is 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide?
The InChIKey is PHJYUBXPSVRULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19-14(13(16)10-18-19)15(20)17-7-8-21-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.60, 6 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-methylphenoxy)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65358711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).