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

C18H25N3O — CID 111799415

IUPAC3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESCn1cc(CN(CCCO)C2CCCc3ccccc32)cn1
InChIInChI=1S/C18H25N3O/c1-20-13-15(12-19-20)14-21(10-5-11-22)18-9-4-7-16-6-2-3-8-17(16)18/h2-3,6,8,12-13,18,22H,4-5,7,9-11,14H2,1H3
InChIKeyAITHZPVIVZOUJC-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.68
Rot. Bonds6

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

3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (PubChem CID 111799415) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
PubChem CID111799415
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESCn1cc(CN(CCCO)C2CCCc3ccccc32)cn1
InChIInChI=1S/C18H25N3O/c1-20-13-15(12-19-20)14-21(10-5-11-22)18-9-4-7-16-6-2-3-8-17(16)18/h2-3,6,8,12-13,18,22H,4-5,7,9-11,14H2,1H3
InChIKeyAITHZPVIVZOUJC-UHFFFAOYSA-N
XLogP2.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[2-(4-nitropyrazol-1-yl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799426
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 96523121
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidin-2-one
CID 111544106
3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
CID 111333738
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111794595
3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111496463
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
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
[3-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]hydrazine
CID 103025799

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (CID 111799415) is 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is Cn1cc(CN(CCCO)C2CCCc3ccccc32)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The InChIKey is AITHZPVIVZOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-13-15(12-19-20)14-21(10-5-11-22)18-9-4-7-16-6-2-3-8-17(16)18/h2-3,6,8,12-13,18,22H,4-5,7,9-11,14H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is sourced from PubChem (CID 111799415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).