6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol

C24H23N3O2 — CID 70993049

IUPAC6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol
SMILESOc1cccc2cc(-c3cn([C@H]4CCCCC4O)nc3-c3ccncc3)ccc12
InChIInChI=1S/C24H23N3O2/c28-22-7-3-4-17-14-18(8-9-19(17)22)20-15-27(21-5-1-2-6-23(21)29)26-24(20)16-10-12-25-13-11-16/h3-4,7-15,21,23,28-29H,1-2,5-6H2/t21-,23?/m0/s1
InChIKeyRILYHIWSBNWFIQ-BBQAJUCSSA-N
MW385.47 g/mol
LogP4.95
Rot. Bonds3

About 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol

6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol (PubChem CID 70993049) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol.

Molecular Properties

Compound Name6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol
PubChem CID70993049
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol
SMILESOc1cccc2cc(-c3cn([C@H]4CCCCC4O)nc3-c3ccncc3)ccc12
InChIInChI=1S/C24H23N3O2/c28-22-7-3-4-17-14-18(8-9-19(17)22)20-15-27(21-5-1-2-6-23(21)29)26-24(20)16-10-12-25-13-11-16/h3-4,7-15,21,23,28-29H,1-2,5-6H2/t21-,23?/m0/s1
InChIKeyRILYHIWSBNWFIQ-BBQAJUCSSA-N
XLogP4.95
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol?
The IUPAC name of 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol (CID 70993049) is 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol.
What is the SMILES notation for 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol?
The canonical SMILES for 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol is Oc1cccc2cc(-c3cn([C@H]4CCCCC4O)nc3-c3ccncc3)ccc12.
What is the InChIKey of 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol?
The InChIKey is RILYHIWSBNWFIQ-BBQAJUCSSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-22-7-3-4-17-14-18(8-9-19(17)22)20-15-27(21-5-1-2-6-23(21)29)26-24(20)16-10-12-25-13-11-16/h3-4,7-15,21,23,28-29H,1-2,5-6H2/t21-,23?/m0/s1.
What are the key properties of 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol?
6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol has a molecular weight of 385.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]naphthalen-1-ol is sourced from PubChem (CID 70993049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).