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

C13H23N3O3 — CID 66171515

IUPACN-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H23N3O3/c1-5-16-11(6-10(15-16)9(2)3)12(18)14-7-13(4,19)8-17/h6,9,17,19H,5,7-8H2,1-4H3,(H,14,18)
InChIKeyUPUJZWOWGLSJEZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.50
Rot. Bonds6

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

N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 66171515) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID66171515
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H23N3O3/c1-5-16-11(6-10(15-16)9(2)3)12(18)14-7-13(4,19)8-17/h6,9,17,19H,5,7-8H2,1-4H3,(H,14,18)
InChIKeyUPUJZWOWGLSJEZ-UHFFFAOYSA-N
XLogP0.50
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111478944
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
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
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 66171515) is N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is UPUJZWOWGLSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-16-11(6-10(15-16)9(2)3)12(18)14-7-13(4,19)8-17/h6,9,17,19H,5,7-8H2,1-4H3,(H,14,18).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66171515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).