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

C18H21N3O2 — CID 166185729

IUPAC[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESO=C(C1CCc2[nH]ncc2C1)N1CCCC1c1ccc(O)cc1
InChIInChI=1S/C18H21N3O2/c22-15-6-3-12(4-7-15)17-2-1-9-21(17)18(23)13-5-8-16-14(10-13)11-19-20-16/h3-4,6-7,11,13,17,22H,1-2,5,8-10H2,(H,19,20)
InChIKeyAJYLKFFQSVFWTC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.58
Rot. Bonds2

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

[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (PubChem CID 166185729) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
PubChem CID166185729
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESO=C(C1CCc2[nH]ncc2C1)N1CCCC1c1ccc(O)cc1
InChIInChI=1S/C18H21N3O2/c22-15-6-3-12(4-7-15)17-2-1-9-21(17)18(23)13-5-8-16-14(10-13)11-19-20-16/h3-4,6-7,11,13,17,22H,1-2,5,8-10H2,(H,19,20)
InChIKeyAJYLKFFQSVFWTC-UHFFFAOYSA-N
XLogP2.58
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185575
[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 154801022
[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
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 120738143
2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 171086663
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
CID 166721441
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423654
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The IUPAC name of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (CID 166185729) is [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.
What is the SMILES notation for [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The canonical SMILES for [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is O=C(C1CCc2[nH]ncc2C1)N1CCCC1c1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The InChIKey is AJYLKFFQSVFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-15-6-3-12(4-7-15)17-2-1-9-21(17)18(23)13-5-8-16-14(10-13)11-19-20-16/h3-4,6-7,11,13,17,22H,1-2,5,8-10H2,(H,19,20).
What are the key properties of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is sourced from PubChem (CID 166185729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).