N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide

C14H17N3O2 — CID 61357227

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(O)cc2)n(C)n1
InChIInChI=1S/C14H17N3O2/c1-10-9-13(17(2)16-10)14(19)15-8-7-11-3-5-12(18)6-4-11/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeySOXRRAJXDWEENN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 61357227) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID61357227
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(O)cc2)n(C)n1
InChIInChI=1S/C14H17N3O2/c1-10-9-13(17(2)16-10)14(19)15-8-7-11-3-5-12(18)6-4-11/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeySOXRRAJXDWEENN-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 54903796
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56818575
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
2-[2-[(2,5-dimethylpyrazole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242434
4-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61018298
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 167956739
N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114297735

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 61357227) is N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(O)cc2)n(C)n1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SOXRRAJXDWEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-9-13(17(2)16-10)14(19)15-8-7-11-3-5-12(18)6-4-11/h3-6,9,18H,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 61357227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).