N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C19H27N3O2 — CID 97052134

IUPACN-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C19H27N3O2/c1-6-22(12-18(23)15-9-7-14(4)8-10-15)19(24)17-11-16(13(2)3)20-21(17)5/h7-11,13,18,23H,6,12H2,1-5H3/t18-/m1/s1
InChIKeyBMPROWBATAFAKH-GOSISDBHSA-N
MW329.44 g/mol
LogP3.05
Rot. Bonds6

About N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 97052134) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID97052134
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C19H27N3O2/c1-6-22(12-18(23)15-9-7-14(4)8-10-15)19(24)17-11-16(13(2)3)20-21(17)5/h7-11,13,18,23H,6,12H2,1-5H3/t18-/m1/s1
InChIKeyBMPROWBATAFAKH-GOSISDBHSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 97052134) is N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is BMPROWBATAFAKH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-22(12-18(23)15-9-7-14(4)8-10-15)19(24)17-11-16(13(2)3)20-21(17)5/h7-11,13,18,23H,6,12H2,1-5H3/t18-/m1/s1.
What are the key properties of N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 97052134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).