4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H23N3O — CID 115420047

IUPAC4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(N(C)Cc2cnn(C)c2)C(O)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-12-8-16(17(21)15-7-5-4-6-14(12)15)19(2)10-13-9-18-20(3)11-13/h4-7,9,11-12,16-17,21H,8,10H2,1-3H3
InChIKeyGLIZTNYZCPELIU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.46
Rot. Bonds3

About 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol

4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420047) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420047
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(N(C)Cc2cnn(C)c2)C(O)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-12-8-16(17(21)15-7-5-4-6-14(12)15)19(2)10-13-9-18-20(3)11-13/h4-7,9,11-12,16-17,21H,8,10H2,1-3H3
InChIKeyGLIZTNYZCPELIU-UHFFFAOYSA-N
XLogP2.46
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418953
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419981
cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 124725633
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 72898443
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 96523121
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799415
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420047) is 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC(N(C)Cc2cnn(C)c2)C(O)c2ccccc21.
What is the InChIKey of 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is GLIZTNYZCPELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-8-16(17(21)15-7-5-4-6-14(12)15)19(2)10-13-9-18-20(3)11-13/h4-7,9,11-12,16-17,21H,8,10H2,1-3H3.
What are the key properties of 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).