4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide

C29H41N5O4 — CID 144629271

IUPAC4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide
SMILESCC1(C)CC(O)Cc2ccccc21.CN.Cc1c(OCC2CNCCO2)nn(-c2ccccc2)c1NC=O
InChIInChI=1S/C16H20N4O3.C12H16O.CH5N/c1-12-15(18-11-21)20(13-5-3-2-4-6-13)19-16(12)23-10-14-9-17-7-8-22-14;1-12(2)8-10(13)7-9-5-3-4-6-11(9)12;1-2/h2-6,11,14,17H,7-10H2,1H3,(H,18,21);3-6,10,13H,7-8H2,1-2H3;2H2,1H3
InChIKeyDILLYFGBHFEYBH-UHFFFAOYSA-N
MW523.68 g/mol
LogP2.96
Rot. Bonds6

About 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide

4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide (PubChem CID 144629271) has the molecular formula C29H41N5O4 and a molecular weight of 523.68 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide
PubChem CID144629271
Molecular FormulaC29H41N5O4
Molecular Weight523.68 g/mol
Exact Mass523.32
IUPAC Name4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide
SMILESCC1(C)CC(O)Cc2ccccc21.CN.Cc1c(OCC2CNCCO2)nn(-c2ccccc2)c1NC=O
InChIInChI=1S/C16H20N4O3.C12H16O.CH5N/c1-12-15(18-11-21)20(13-5-3-2-4-6-13)19-16(12)23-10-14-9-17-7-8-22-14;1-12(2)8-10(13)7-9-5-3-4-6-11(9)12;1-2/h2-6,11,14,17H,7-10H2,1H3,(H,18,21);3-6,10,13H,7-8H2,1-2H3;2H2,1H3
InChIKeyDILLYFGBHFEYBH-UHFFFAOYSA-N
XLogP2.96
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide?
The IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide (CID 144629271) is 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide?
The canonical SMILES for 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide is CC1(C)CC(O)Cc2ccccc21.CN.Cc1c(OCC2CNCCO2)nn(-c2ccccc2)c1NC=O.
What is the InChIKey of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide?
The InChIKey is DILLYFGBHFEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.C12H16O.CH5N/c1-12-15(18-11-21)20(13-5-3-2-4-6-13)19-16(12)23-10-14-9-17-7-8-22-14;1-12(2)8-10(13)7-9-5-3-4-6-11(9)12;1-2/h2-6,11,14,17H,7-10H2,1H3,(H,18,21);3-6,10,13H,7-8H2,1-2H3;2H2,1H3.
What are the key properties of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide?
4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide has a molecular weight of 523.68 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide is sourced from PubChem (CID 144629271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).