3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide

C16H21N3O2 — CID 102810761

IUPAC3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C16H21N3O2/c1-5-15-14(10-18(3)17-15)16(21)19(4)11(2)12-6-8-13(20)9-7-12/h6-11,20H,5H2,1-4H3
InChIKeyZUKGLOPAYIDAAP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.52
Rot. Bonds4

About 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide

3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 102810761) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID102810761
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C16H21N3O2/c1-5-15-14(10-18(3)17-15)16(21)19(4)11(2)12-6-8-13(20)9-7-12/h6-11,20H,5H2,1-4H3
InChIKeyZUKGLOPAYIDAAP-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 154739477
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102810859
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971
N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102810450
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354207
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 103894190

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide (CID 102810761) is 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(C)C(C)c1ccc(O)cc1.
What is the InChIKey of 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is ZUKGLOPAYIDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-15-14(10-18(3)17-15)16(21)19(4)11(2)12-6-8-13(20)9-7-12/h6-11,20H,5H2,1-4H3.
What are the key properties of 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102810761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).