1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C20H29N3O — CID 109481925

IUPAC1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCc1nn(C)c(CC)c1CNCC1(O)CCCc2ccccc21
InChIInChI=1S/C20H29N3O/c1-4-18-16(19(5-2)23(3)22-18)13-21-14-20(24)12-8-10-15-9-6-7-11-17(15)20/h6-7,9,11,21,24H,4-5,8,10,12-14H2,1-3H3
InChIKeyNAQHPHCAQCMUHG-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.86
Rot. Bonds6

About 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 109481925) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID109481925
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCc1nn(C)c(CC)c1CNCC1(O)CCCc2ccccc21
InChIInChI=1S/C20H29N3O/c1-4-18-16(19(5-2)23(3)22-18)13-21-14-20(24)12-8-10-15-9-6-7-11-17(15)20/h6-7,9,11,21,24H,4-5,8,10,12-14H2,1-3H3
InChIKeyNAQHPHCAQCMUHG-UHFFFAOYSA-N
XLogP2.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-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

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 109481925) is 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is CCc1nn(C)c(CC)c1CNCC1(O)CCCc2ccccc21.
What is the InChIKey of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is NAQHPHCAQCMUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-18-16(19(5-2)23(3)22-18)13-21-14-20(24)12-8-10-15-9-6-7-11-17(15)20/h6-7,9,11,21,24H,4-5,8,10,12-14H2,1-3H3.
What are the key properties of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 327.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 109481925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).