(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol

C28H36N4O — CID 25288969

IUPAC(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESCn1cc(CN2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C28H36N4O/c1-31-19-26(20-32-16-13-24(14-17-32)28(33)25-8-5-15-29-18-25)27(30-31)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h5,8-12,15,18-19,21,24,28,33H,2-4,6-7,13-14,16-17,20H2,1H3/t28-/m1/s1
InChIKeyZUKLGHIMOXCQDH-MUUNZHRXSA-N
MW444.62 g/mol
LogP5.48
Rot. Bonds6

About (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol

(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol (PubChem CID 25288969) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
PubChem CID25288969
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESCn1cc(CN2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C28H36N4O/c1-31-19-26(20-32-16-13-24(14-17-32)28(33)25-8-5-15-29-18-25)27(30-31)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h5,8-12,15,18-19,21,24,28,33H,2-4,6-7,13-14,16-17,20H2,1H3/t28-/m1/s1
InChIKeyZUKLGHIMOXCQDH-MUUNZHRXSA-N
XLogP5.48
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol with MolForge

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Related Compounds

3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 42345611
(1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
CID 25455232
(R)-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25274602
2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine
CID 154785628
3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine
CID 126834124
2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
CID 95868809
[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171915677
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45182675
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
CID 45177785
[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171913113
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol (CID 25288969) is (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol is Cn1cc(CN2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZUKLGHIMOXCQDH-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H36N4O/c1-31-19-26(20-32-16-13-24(14-17-32)28(33)25-8-5-15-29-18-25)27(30-31)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h5,8-12,15,18-19,21,24,28,33H,2-4,6-7,13-14,16-17,20H2,1H3/t28-/m1/s1.
What are the key properties of (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol has a molecular weight of 444.62 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 25288969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).