2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide

C18H27N5O2 — CID 126776046

IUPAC2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H27N5O2/c1-5-14-13(16(6-2)23(4)21-14)9-17(24)20-15-7-8-25-18(15)12-10-19-22(3)11-12/h10-11,15,18H,5-9H2,1-4H3,(H,20,24)/t15-,18+/m0/s1
InChIKeyHDFHXSDFBFAWPY-MAUKXSAKSA-N
MW345.45 g/mol
LogP1.47
Rot. Bonds6

About 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide

2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (PubChem CID 126776046) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
PubChem CID126776046
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H27N5O2/c1-5-14-13(16(6-2)23(4)21-14)9-17(24)20-15-7-8-25-18(15)12-10-19-22(3)11-12/h10-11,15,18H,5-9H2,1-4H3,(H,20,24)/t15-,18+/m0/s1
InChIKeyHDFHXSDFBFAWPY-MAUKXSAKSA-N
XLogP1.47
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (CID 126776046) is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is CCc1nn(C)c(CC)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The InChIKey is HDFHXSDFBFAWPY-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-14-13(16(6-2)23(4)21-14)9-17(24)20-15-7-8-25-18(15)12-10-19-22(3)11-12/h10-11,15,18H,5-9H2,1-4H3,(H,20,24)/t15-,18+/m0/s1.
What are the key properties of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126776046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).