N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide

C15H25N3O2 — CID 128999502

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-5-18-12(6-8-17-18)14(19)16-10-11-7-9-20-13(11)15(2,3)4/h6,8,11,13H,5,7,9-10H2,1-4H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyKXHWKIJALSKUGL-YPMHNXCESA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds4

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 128999502) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
PubChem CID128999502
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-5-18-12(6-8-17-18)14(19)16-10-11-7-9-20-13(11)15(2,3)4/h6,8,11,13H,5,7,9-10H2,1-4H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyKXHWKIJALSKUGL-YPMHNXCESA-N
XLogP2.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
US10214537, Example 154
CID 132220335
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 4770715
9-(1-Methyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 110203871
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
1-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 4137170
[4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone
CID 87053394
1-[8-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91910543
[4-(Methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 91915832
N~5~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1-methyl-1H-pyrazole-5-carboxamide
CID 91923042
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone
CID 110197962

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide (CID 128999502) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is KXHWKIJALSKUGL-YPMHNXCESA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18-12(6-8-17-18)14(19)16-10-11-7-9-20-13(11)15(2,3)4/h6,8,11,13H,5,7,9-10H2,1-4H3,(H,16,19)/t11-,13+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 128999502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).