2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C19H20N4O2 — CID 75435136

IUPAC2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C19H20N4O2/c1-22-12-13(10-21-22)18(24)9-14-5-4-8-23(14)19(25)16-11-20-17-7-3-2-6-15(16)17/h2-3,6-7,10-12,14,20H,4-5,8-9H2,1H3
InChIKeyFTVMPOKWNHENTK-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75435136) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75435136
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C19H20N4O2/c1-22-12-13(10-21-22)18(24)9-14-5-4-8-23(14)19(25)16-11-20-17-7-3-2-6-15(16)17/h2-3,6-7,10-12,14,20H,4-5,8-9H2,1H3
InChIKeyFTVMPOKWNHENTK-UHFFFAOYSA-N
XLogP2.78
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75435136) is 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CC2CCCN2C(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is FTVMPOKWNHENTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-12-13(10-21-22)18(24)9-14-5-4-8-23(14)19(25)16-11-20-17-7-3-2-6-15(16)17/h2-3,6-7,10-12,14,20H,4-5,8-9H2,1H3.
What are the key properties of 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75435136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).