2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide

C13H21N3O3 — CID 103954364

IUPAC2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H21N3O3/c1-3-16-11(8-10(2)15-16)12(18)14-13(9-17)4-6-19-7-5-13/h8,17H,3-7,9H2,1-2H3,(H,14,18)
InChIKeyUONNVVKWEJNPJD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.48
Rot. Bonds4

About 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 103954364) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide
PubChem CID103954364
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H21N3O3/c1-3-16-11(8-10(2)15-16)12(18)14-13(9-17)4-6-19-7-5-13/h8,17H,3-7,9H2,1-2H3,(H,14,18)
InChIKeyUONNVVKWEJNPJD-UHFFFAOYSA-N
XLogP0.48
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-5-methylpyrazole-3-carboxamide
CID 113344850
N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 110008789
1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
CID 106297618
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 103954223
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889563
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 79711180
N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 115881850
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126538

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide (CID 103954364) is 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is UONNVVKWEJNPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16-11(8-10(2)15-16)12(18)14-13(9-17)4-6-19-7-5-13/h8,17H,3-7,9H2,1-2H3,(H,14,18).
What are the key properties of 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103954364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).