[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

C19H23N3O — CID 166185575

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCc1ccccc1C1CCCN1C(=O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C19H23N3O/c1-13-5-2-3-6-16(13)18-7-4-10-22(18)19(23)14-8-9-17-15(11-14)12-20-21-17/h2-3,5-6,12,14,18H,4,7-11H2,1H3,(H,20,21)
InChIKeyCZKQSFDYNPAACQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.19
Rot. Bonds2

About [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (PubChem CID 166185575) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
PubChem CID166185575
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCc1ccccc1C1CCCN1C(=O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C19H23N3O/c1-13-5-2-3-6-16(13)18-7-4-10-22(18)19(23)14-8-9-17-15(11-14)12-20-21-17/h2-3,5-6,12,14,18H,4,7-11H2,1H3,(H,20,21)
InChIKeyCZKQSFDYNPAACQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185729
[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 154801022
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 127688943
[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93373362
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 120738143
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
1-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 55889163
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (CID 166185575) is [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is Cc1ccccc1C1CCCN1C(=O)C1CCc2[nH]ncc2C1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The InChIKey is CZKQSFDYNPAACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-5-2-3-6-16(13)18-7-4-10-22(18)19(23)14-8-9-17-15(11-14)12-20-21-17/h2-3,5-6,12,14,18H,4,7-11H2,1H3,(H,20,21).
What are the key properties of [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is sourced from PubChem (CID 166185575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).