4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide

C13H16N4O2 — CID 65354090

IUPAC4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-17-9-11(14)12(16-17)13(18)15-7-8-19-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18)
InChIKeyQLXIVTWTXHEJCT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.81
Rot. Bonds5

About 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide (PubChem CID 65354090) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
PubChem CID65354090
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-17-9-11(14)12(16-17)13(18)15-7-8-19-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18)
InChIKeyQLXIVTWTXHEJCT-UHFFFAOYSA-N
XLogP0.81
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.81
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-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide (CID 65354090) is 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCCOc2ccccc2)n1.
What is the InChIKey of 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide?
The InChIKey is QLXIVTWTXHEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-9-11(14)12(16-17)13(18)15-7-8-19-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65354090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).