N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C20H28N4O — CID 56822595

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2ccccc2C1
InChIInChI=1S/C20H28N4O/c1-15-19(20(23(2)22-15)24-9-11-25-12-10-24)14-21-18-8-7-16-5-3-4-6-17(16)13-18/h3-6,18,21H,7-14H2,1-2H3
InChIKeyZZLLNAFDEYNFGP-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.21
Rot. Bonds4

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 56822595) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID56822595
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2ccccc2C1
InChIInChI=1S/C20H28N4O/c1-15-19(20(23(2)22-15)24-9-11-25-12-10-24)14-21-18-8-7-16-5-3-4-6-17(16)13-18/h3-6,18,21H,7-14H2,1-2H3
InChIKeyZZLLNAFDEYNFGP-UHFFFAOYSA-N
XLogP2.21
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 56822595) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1nn(C)c(N2CCOCC2)c1CNC1CCc2ccccc2C1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZZLLNAFDEYNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-19(20(23(2)22-15)24-9-11-25-12-10-24)14-21-18-8-7-16-5-3-4-6-17(16)13-18/h3-6,18,21H,7-14H2,1-2H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 340.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 56822595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).