1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide

C19H27N3O3 — CID 78890944

IUPAC1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1cccc(OCCOC)c1
InChIInChI=1S/C19H27N3O3/c1-5-22-18(12-17(21-22)14(2)3)19(23)20-13-15-7-6-8-16(11-15)25-10-9-24-4/h6-8,11-12,14H,5,9-10,13H2,1-4H3,(H,20,23)
InChIKeyMPRKXOQXZHVUJJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.98
Rot. Bonds9

About 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 78890944) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID78890944
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1cccc(OCCOC)c1
InChIInChI=1S/C19H27N3O3/c1-5-22-18(12-17(21-22)14(2)3)19(23)20-13-15-7-6-8-16(11-15)25-10-9-24-4/h6-8,11-12,14H,5,9-10,13H2,1-4H3,(H,20,23)
InChIKeyMPRKXOQXZHVUJJ-UHFFFAOYSA-N
XLogP2.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70780811
1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111102752
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723323
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87005494

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 78890944) is 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCc1cccc(OCCOC)c1.
What is the InChIKey of 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is MPRKXOQXZHVUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-22-18(12-17(21-22)14(2)3)19(23)20-13-15-7-6-8-16(11-15)25-10-9-24-4/h6-8,11-12,14H,5,9-10,13H2,1-4H3,(H,20,23).
What are the key properties of 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 78890944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).