3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide

C15H19N3O2 — CID 102810895

IUPAC3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H19N3O2/c1-4-14-13(9-18(3)17-14)15(20)16-12-7-5-6-11(8-12)10(2)19/h5-10,19H,4H2,1-3H3,(H,16,20)
InChIKeyMHEJGQODFORTPU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds4

About 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide

3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 102810895) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID102810895
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H19N3O2/c1-4-14-13(9-18(3)17-14)15(20)16-12-7-5-6-11(8-12)10(2)19/h5-10,19H,4H2,1-3H3,(H,16,20)
InChIKeyMHEJGQODFORTPU-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-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801384
N-[3-(3-chloropropyl)phenyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811355
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973113
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 102810182

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide (CID 102810895) is 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MHEJGQODFORTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-14-13(9-18(3)17-14)15(20)16-12-7-5-6-11(8-12)10(2)19/h5-10,19H,4H2,1-3H3,(H,16,20).
What are the key properties of 3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide?
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-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-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).