(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C16H21N3O — CID 124681098

IUPAC(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCc1nn(C)cc1N[C@H]1CCCc2ccc(O)cc21
InChIInChI=1S/C16H21N3O/c1-3-14-16(10-19(2)18-14)17-15-6-4-5-11-7-8-12(20)9-13(11)15/h7-10,15,17,20H,3-6H2,1-2H3/t15-/m0/s1
InChIKeyAJLNSBQCCWEFPI-HNNXBMFYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds3

About (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 124681098) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID124681098
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCc1nn(C)cc1N[C@H]1CCCc2ccc(O)cc21
InChIInChI=1S/C16H21N3O/c1-3-14-16(10-19(2)18-14)17-15-6-4-5-11-7-8-12(20)9-13(11)15/h7-10,15,17,20H,3-6H2,1-2H3/t15-/m0/s1
InChIKeyAJLNSBQCCWEFPI-HNNXBMFYSA-N
XLogP3.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine
CID 103932631
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107462778
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 125136371
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
CID 107462403
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
1-[(3-tert-butyl-1-hexylpyrazol-5-yl)methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 57335339
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
CID 97307820
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 124681098) is (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCc1nn(C)cc1N[C@H]1CCCc2ccc(O)cc21.
What is the InChIKey of (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AJLNSBQCCWEFPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-14-16(10-19(2)18-14)17-15-6-4-5-11-7-8-12(20)9-13(11)15/h7-10,15,17,20H,3-6H2,1-2H3/t15-/m0/s1.
What are the key properties of (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 271.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 124681098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).