N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide

C13H15N3O2 — CID 63079068

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C13H15N3O2/c1-9(10-3-5-11(17)6-4-10)16(2)13(18)12-7-8-14-15-12/h3-9,17H,1-2H3,(H,14,15)
InChIKeyXEGHXLRZWUZZSG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63079068) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63079068
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C13H15N3O2/c1-9(10-3-5-11(17)6-4-10)16(2)13(18)12-7-8-14-15-12/h3-9,17H,1-2H3,(H,14,15)
InChIKeyXEGHXLRZWUZZSG-UHFFFAOYSA-N
XLogP1.95
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 63079068) is N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is XEGHXLRZWUZZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(10-3-5-11(17)6-4-10)16(2)13(18)12-7-8-14-15-12/h3-9,17H,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63079068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).