3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C13H23N3O2 — CID 115600762

IUPAC3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCOc1c(CNC2CCCC(O)C2)c(C)nn1C
InChIInChI=1S/C13H23N3O2/c1-9-12(13(18-3)16(2)15-9)8-14-10-5-4-6-11(17)7-10/h10-11,14,17H,4-8H2,1-3H3
InChIKeyYTVLKXAPCBVQMF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.13
Rot. Bonds4

About 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol

3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 115600762) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID115600762
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCOc1c(CNC2CCCC(O)C2)c(C)nn1C
InChIInChI=1S/C13H23N3O2/c1-9-12(13(18-3)16(2)15-9)8-14-10-5-4-6-11(17)7-10/h10-11,14,17H,4-8H2,1-3H3
InChIKeyYTVLKXAPCBVQMF-UHFFFAOYSA-N
XLogP1.13
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 104705178
(1R,2R,3S)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-pyrazol-1-ylcyclobutan-1-ol
CID 167871476
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
4-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]benzonitrile
CID 51105404
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
CID 113229761
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124575654
1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51105415
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 94822388
(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 94824770

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 115600762) is 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is COc1c(CNC2CCCC(O)C2)c(C)nn1C.
What is the InChIKey of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is YTVLKXAPCBVQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-12(13(18-3)16(2)15-9)8-14-10-5-4-6-11(17)7-10/h10-11,14,17H,4-8H2,1-3H3.
What are the key properties of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115600762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).