2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide

C19H22N4O2 — CID 136528352

IUPAC2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide
SMILESCn1cc(CC(=O)Nc2cc(C3CCOCC3)[nH]n2)c2ccccc21
InChIInChI=1S/C19H22N4O2/c1-23-12-14(15-4-2-3-5-17(15)23)10-19(24)20-18-11-16(21-22-18)13-6-8-25-9-7-13/h2-5,11-13H,6-10H2,1H3,(H2,20,21,22,24)
InChIKeyOFQLVBXESIXXSE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.98
Rot. Bonds4

About 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide

2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 136528352) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID136528352
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide
SMILESCn1cc(CC(=O)Nc2cc(C3CCOCC3)[nH]n2)c2ccccc21
InChIInChI=1S/C19H22N4O2/c1-23-12-14(15-4-2-3-5-17(15)23)10-19(24)20-18-11-16(21-22-18)13-6-8-25-9-7-13/h2-5,11-13H,6-10H2,1H3,(H2,20,21,22,24)
InChIKeyOFQLVBXESIXXSE-UHFFFAOYSA-N
XLogP2.98
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide (CID 136528352) is 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide is Cn1cc(CC(=O)Nc2cc(C3CCOCC3)[nH]n2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is OFQLVBXESIXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23-12-14(15-4-2-3-5-17(15)23)10-19(24)20-18-11-16(21-22-18)13-6-8-25-9-7-13/h2-5,11-13H,6-10H2,1H3,(H2,20,21,22,24).
What are the key properties of 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide?
2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 136528352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).