1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone

C19H29N3O2 — CID 129447195

IUPAC1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
SMILESO=C(Cc1n[nH]c2c1CCCC2)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O
InChIInChI=1S/C19H29N3O2/c23-18-10-4-2-7-14(18)17-9-5-11-22(17)19(24)12-16-13-6-1-3-8-15(13)20-21-16/h14,17-18,23H,1-12H2,(H,20,21)/t14-,17-,18-/m1/s1
InChIKeyCSGPFFUQDQFSOX-ZTFGCOKTSA-N
MW331.46 g/mol
LogP2.37
Rot. Bonds3

About 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone

1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone (PubChem CID 129447195) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
PubChem CID129447195
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
SMILESO=C(Cc1n[nH]c2c1CCCC2)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O
InChIInChI=1S/C19H29N3O2/c23-18-10-4-2-7-14(18)17-9-5-11-22(17)19(24)12-16-13-6-1-3-8-15(13)20-21-16/h14,17-18,23H,1-12H2,(H,20,21)/t14-,17-,18-/m1/s1
InChIKeyCSGPFFUQDQFSOX-ZTFGCOKTSA-N
XLogP2.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone with MolForge

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Related Compounds

1-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 129480937
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 129480992
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 79539006
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
1-[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
CID 126776275
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129447529
1-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
CID 139020823
3-ethoxy-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546527

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone (CID 129447195) is 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone is O=C(Cc1n[nH]c2c1CCCC2)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O.
What is the InChIKey of 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
The InChIKey is CSGPFFUQDQFSOX-ZTFGCOKTSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18-10-4-2-7-14(18)17-9-5-11-22(17)19(24)12-16-13-6-1-3-8-15(13)20-21-16/h14,17-18,23H,1-12H2,(H,20,21)/t14-,17-,18-/m1/s1.
What are the key properties of 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone is sourced from PubChem (CID 129447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).