(1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C19H22N4O — CID 56779349

IUPAC(1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H22N4O/c1-14-10-20-22(11-14)12-15-6-5-9-23(15)19(24)17-13-21(2)18-8-4-3-7-16(17)18/h3-4,7-8,10-11,13,15H,5-6,9,12H2,1-2H3
InChIKeyFCDJVUVYJDIZNO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.99
Rot. Bonds3

About (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56779349) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56779349
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H22N4O/c1-14-10-20-22(11-14)12-15-6-5-9-23(15)19(24)17-13-21(2)18-8-4-3-7-16(17)18/h3-4,7-8,10-11,13,15H,5-6,9,12H2,1-2H3
InChIKeyFCDJVUVYJDIZNO-UHFFFAOYSA-N
XLogP2.99
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56779349) is (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnn(CC2CCCN2C(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is FCDJVUVYJDIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-10-20-22(11-14)12-15-6-5-9-23(15)19(24)17-13-21(2)18-8-4-3-7-16(17)18/h3-4,7-8,10-11,13,15H,5-6,9,12H2,1-2H3.
What are the key properties of (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).