(2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H23N3 — CID 59293496

IUPAC(2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1n[nH]c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2
InChIInChI=1S/C17H23N3/c1-11-17(12(2)19-18-11)16-7-5-6-13-10-14(20(3)4)8-9-15(13)16/h5-7,14H,8-10H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyVTURISHXKNOSSR-AWEZNQCLSA-N
MW269.39 g/mol
LogP3.11
Rot. Bonds2

About (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 59293496) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID59293496
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1n[nH]c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2
InChIInChI=1S/C17H23N3/c1-11-17(12(2)19-18-11)16-7-5-6-13-10-14(20(3)4)8-9-15(13)16/h5-7,14H,8-10H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyVTURISHXKNOSSR-AWEZNQCLSA-N
XLogP3.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 59293496) is (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1n[nH]c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2.
What is the InChIKey of (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VTURISHXKNOSSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-17(12(2)19-18-11)16-7-5-6-13-10-14(20(3)4)8-9-15(13)16/h5-7,14H,8-10H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 59293496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).