N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide

C18H25N3O2 — CID 110001403

IUPACN-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)NC(CO)c2ccccc2)c1C
InChIInChI=1S/C18H25N3O2/c1-4-15(5-2)21-13(3)16(11-19-21)18(23)20-17(12-22)14-9-7-6-8-10-14/h6-11,15,17,22H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyGOKUBNCGCUEATI-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.02
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide

N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 110001403) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
PubChem CID110001403
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)NC(CO)c2ccccc2)c1C
InChIInChI=1S/C18H25N3O2/c1-4-15(5-2)21-13(3)16(11-19-21)18(23)20-17(12-22)14-9-7-6-8-10-14/h6-11,15,17,22H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyGOKUBNCGCUEATI-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide (CID 110001403) is N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)n1ncc(C(=O)NC(CO)c2ccccc2)c1C.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is GOKUBNCGCUEATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-15(5-2)21-13(3)16(11-19-21)18(23)20-17(12-22)14-9-7-6-8-10-14/h6-11,15,17,22H,4-5,12H2,1-3H3,(H,20,23).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 110001403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).