3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide

C15H19N3O2 — CID 66119763

IUPAC3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccccc2C(C)O)n(C)n1
InChIInChI=1S/C15H19N3O2/c1-4-11-9-14(18(3)17-11)15(20)16-13-8-6-5-7-12(13)10(2)19/h5-10,19H,4H2,1-3H3,(H,16,20)
InChIKeyBFFIJVDWQUTYJE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds4

About 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66119763) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID66119763
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccccc2C(C)O)n(C)n1
InChIInChI=1S/C15H19N3O2/c1-4-11-9-14(18(3)17-11)15(20)16-13-8-6-5-7-12(13)10(2)19/h5-10,19H,4H2,1-3H3,(H,16,20)
InChIKeyBFFIJVDWQUTYJE-UHFFFAOYSA-N
XLogP2.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
CID 131920585
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzenesulfonyl fluoride
CID 116814053
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
3-ethyl-N-(4-fluoro-2-iodophenyl)-1-methylpyrazole-5-carboxamide
CID 79765896
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119916
N-(4-amino-2-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120705
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 66119763) is 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccccc2C(C)O)n(C)n1.
What is the InChIKey of 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is BFFIJVDWQUTYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11-9-14(18(3)17-11)15(20)16-13-8-6-5-7-12(13)10(2)19/h5-10,19H,4H2,1-3H3,(H,16,20).
What are the key properties of 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66119763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).