2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide

C14H22N4O3 — CID 163312846

IUPAC2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOC[C@@]12COC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)C2
InChIInChI=1S/C14H22N4O3/c1-17-4-3-12(16-17)15-13(19)6-18-5-11-7-21-10-14(11,8-18)9-20-2/h3-4,11H,5-10H2,1-2H3,(H,15,16,19)/t11-,14-/m0/s1
InChIKeyCZIUSQKAVCSGBO-FZMZJTMJSA-N
MW294.35 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 163312846) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID163312846
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOC[C@@]12COC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)C2
InChIInChI=1S/C14H22N4O3/c1-17-4-3-12(16-17)15-13(19)6-18-5-11-7-21-10-14(11,8-18)9-20-2/h3-4,11H,5-10H2,1-2H3,(H,15,16,19)/t11-,14-/m0/s1
InChIKeyCZIUSQKAVCSGBO-FZMZJTMJSA-N
XLogP-0.05
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 163312846) is 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide is COC[C@@]12COC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)C2.
What is the InChIKey of 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is CZIUSQKAVCSGBO-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-4-3-12(16-17)15-13(19)6-18-5-11-7-21-10-14(11,8-18)9-20-2/h3-4,11H,5-10H2,1-2H3,(H,15,16,19)/t11-,14-/m0/s1.
What are the key properties of 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 163312846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).