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

C20H28N4O — CID 95142484

IUPAC(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H28N4O/c1-15-18(20(23(2)22-15)24-10-12-25-13-11-24)14-21-19-9-5-7-16-6-3-4-8-17(16)19/h3-4,6,8,19,21H,5,7,9-14H2,1-2H3/t19-/m0/s1
InChIKeyAHCRNBKDKRSPNO-IBGZPJMESA-N
MW340.47 g/mol
LogP2.73
Rot. Bonds4

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

(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 95142484) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID95142484
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H28N4O/c1-15-18(20(23(2)22-15)24-10-12-25-13-11-24)14-21-19-9-5-7-16-6-3-4-8-17(16)19/h3-4,6,8,19,21H,5,7,9-14H2,1-2H3/t19-/m0/s1
InChIKeyAHCRNBKDKRSPNO-IBGZPJMESA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-4-[[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95733883
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 94822388
(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95138452
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
N,N,1,3-tetramethyl-4-[[[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]pyrazol-5-amine
CID 94823238
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
CID 43204439
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-methylindazol-3-amine
CID 154778821
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63279810
1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine
CID 63153025
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 95142484) is (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCc2ccccc21.
What is the InChIKey of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AHCRNBKDKRSPNO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-18(20(23(2)22-15)24-10-12-25-13-11-24)14-21-19-9-5-7-16-6-3-4-8-17(16)19/h3-4,6,8,19,21H,5,7,9-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 340.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 95142484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).