cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol

C18H25N3O — CID 77088737

IUPACcis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol
SMILESCN(Cc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C18H25N3O/c1-20(17-9-4-5-10-18(17)22)13-15-7-2-3-8-16(15)14-21-12-6-11-19-21/h2-3,6-8,11-12,17-18,22H,4-5,9-10,13-14H2,1H3/t17-,18+/m1/s1
InChIKeyPMFSHNCWHBSZHJ-MSOLQXFVSA-N
MW299.42 g/mol
LogP2.67
Rot. Bonds5

About cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol

cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol (PubChem CID 77088737) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol
PubChem CID77088737
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Namecis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol
SMILESCN(Cc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C18H25N3O/c1-20(17-9-4-5-10-18(17)22)13-15-7-2-3-8-16(15)14-21-12-6-11-19-21/h2-3,6-8,11-12,17-18,22H,4-5,9-10,13-14H2,1H3/t17-,18+/m1/s1
InChIKeyPMFSHNCWHBSZHJ-MSOLQXFVSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
2-[4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191358
US10617680, Example 321
CID 135355545
1-(3,4-Dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 48076344
1'-[3-(1H-pyrazol-1-ylmethyl)benzyl]-1,4'-bipiperidin-4-ol
CID 50983971
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
2-[4-[[Methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 57391975
1-Pyrazol-1-yl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-2-ol
CID 71977068
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384238
(2S,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470069

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol (CID 77088737) is cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol is CN(Cc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol?
The InChIKey is PMFSHNCWHBSZHJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(17-9-4-5-10-18(17)22)13-15-7-2-3-8-16(15)14-21-12-6-11-19-21/h2-3,6-8,11-12,17-18,22H,4-5,9-10,13-14H2,1H3/t17-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 77088737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).