N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C17H23N3O2 — CID 111565388

IUPACN-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(CCO)Cc2ccccc2)n(C)n1
InChIInChI=1S/C17H23N3O2/c1-13(2)15-11-16(19(3)18-15)17(22)20(9-10-21)12-14-7-5-4-6-8-14/h4-8,11,13,21H,9-10,12H2,1-3H3
InChIKeyUWGCPVIZBGEUNY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 111565388) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID111565388
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(CCO)Cc2ccccc2)n(C)n1
InChIInChI=1S/C17H23N3O2/c1-13(2)15-11-16(19(3)18-15)17(22)20(9-10-21)12-14-7-5-4-6-8-14/h4-8,11,13,21H,9-10,12H2,1-3H3
InChIKeyUWGCPVIZBGEUNY-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 111565388) is N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(CCO)Cc2ccccc2)n(C)n1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is UWGCPVIZBGEUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)15-11-16(19(3)18-15)17(22)20(9-10-21)12-14-7-5-4-6-8-14/h4-8,11,13,21H,9-10,12H2,1-3H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 111565388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).