phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone

C19H21N3O2 — CID 110607617

IUPACphenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H21N3O2/c23-18(13-7-2-1-3-8-13)16-11-6-12-22(16)19(24)17-14-9-4-5-10-15(14)20-21-17/h1-3,7-8,16H,4-6,9-12H2,(H,20,21)
InChIKeyVLBFPNSMAQSGRG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.78
Rot. Bonds3

About phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone

phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 110607617) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID110607617
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namephenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H21N3O2/c23-18(13-7-2-1-3-8-13)16-11-6-12-22(16)19(24)17-14-9-4-5-10-15(14)20-21-17/h1-3,7-8,16H,4-6,9-12H2,(H,20,21)
InChIKeyVLBFPNSMAQSGRG-UHFFFAOYSA-N
XLogP2.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone (CID 110607617) is phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone is O=C(c1ccccc1)C1CCCN1C(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is VLBFPNSMAQSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(13-7-2-1-3-8-13)16-11-6-12-22(16)19(24)17-14-9-4-5-10-15(14)20-21-17/h1-3,7-8,16H,4-6,9-12H2,(H,20,21).
What are the key properties of phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone?
phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 110607617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).