1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol

C17H29N3O — CID 56780851

IUPAC1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESCc1cc(C)n(CC2CCCN2CC2(O)CCCCC2)n1
InChIInChI=1S/C17H29N3O/c1-14-11-15(2)20(18-14)12-16-7-6-10-19(16)13-17(21)8-4-3-5-9-17/h11,16,21H,3-10,12-13H2,1-2H3
InChIKeyXTVJCVGFMGHEIW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.66
Rot. Bonds4

About 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol

1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 56780851) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID56780851
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESCc1cc(C)n(CC2CCCN2CC2(O)CCCCC2)n1
InChIInChI=1S/C17H29N3O/c1-14-11-15(2)20(18-14)12-16-7-6-10-19(16)13-17(21)8-4-3-5-9-17/h11,16,21H,3-10,12-13H2,1-2H3
InChIKeyXTVJCVGFMGHEIW-UHFFFAOYSA-N
XLogP2.66
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 56780851) is 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol is Cc1cc(C)n(CC2CCCN2CC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XTVJCVGFMGHEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-11-15(2)20(18-14)12-16-7-6-10-19(16)13-17(21)8-4-3-5-9-17/h11,16,21H,3-10,12-13H2,1-2H3.
What are the key properties of 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 56780851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).