(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H21N3O — CID 94822388

IUPAC(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1c(CN[C@H]2CCc3ccccc32)c(C)nn1C
InChIInChI=1S/C16H21N3O/c1-11-14(16(20-3)19(2)18-11)10-17-15-9-8-12-6-4-5-7-13(12)15/h4-7,15,17H,8-10H2,1-3H3/t15-/m0/s1
InChIKeyMOMVZKVNQIEKRW-HNNXBMFYSA-N
MW271.36 g/mol
LogP2.51
Rot. Bonds4

About (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 94822388) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID94822388
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1c(CN[C@H]2CCc3ccccc32)c(C)nn1C
InChIInChI=1S/C16H21N3O/c1-11-14(16(20-3)19(2)18-11)10-17-15-9-8-12-6-4-5-7-13(12)15/h4-7,15,17H,8-10H2,1-3H3/t15-/m0/s1
InChIKeyMOMVZKVNQIEKRW-HNNXBMFYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 94817453
6-chloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
CID 51131320
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43644936
(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 95142484
(5S)-7-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 52537720
1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51105415
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
4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78989792
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
CID 113229761
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731
N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 60857681
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 94822388) is (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1c(CN[C@H]2CCc3ccccc32)c(C)nn1C.
What is the InChIKey of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MOMVZKVNQIEKRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14(16(20-3)19(2)18-11)10-17-15-9-8-12-6-4-5-7-13(12)15/h4-7,15,17H,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 94822388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).