1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide

C13H23N3O2 — CID 65109682

IUPAC1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC(C)(C)O
InChIInChI=1S/C13H23N3O2/c1-6-16-11(7-10(15-16)9(2)3)12(17)14-8-13(4,5)18/h7,9,18H,6,8H2,1-5H3,(H,14,17)
InChIKeyIPUTXHRXGRJRMO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.53
Rot. Bonds5

About 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 65109682) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID65109682
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC(C)(C)O
InChIInChI=1S/C13H23N3O2/c1-6-16-11(7-10(15-16)9(2)3)12(17)14-8-13(4,5)18/h7,9,18H,6,8H2,1-5H3,(H,14,17)
InChIKeyIPUTXHRXGRJRMO-UHFFFAOYSA-N
XLogP1.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111478944
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449376
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 65109682) is 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCC(C)(C)O.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is IPUTXHRXGRJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-16-11(7-10(15-16)9(2)3)12(17)14-8-13(4,5)18/h7,9,18H,6,8H2,1-5H3,(H,14,17).
What are the key properties of 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 65109682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).