(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

C15H19N3 — CID 25154534

IUPAC(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)[C@@H](N)CC2
InChIInChI=1S/C15H19N3/c1-9-15(10(2)18(3)17-9)12-5-4-11-6-7-14(16)13(11)8-12/h4-5,8,14H,6-7,16H2,1-3H3/t14-/m0/s1
InChIKeyVLEAYEDIGNNUNW-AWEZNQCLSA-N
MW241.34 g/mol
LogP2.65
Rot. Bonds1

About (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 25154534) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID25154534
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)[C@@H](N)CC2
InChIInChI=1S/C15H19N3/c1-9-15(10(2)18(3)17-9)12-5-4-11-6-7-14(16)13(11)8-12/h4-5,8,14H,6-7,16H2,1-3H3/t14-/m0/s1
InChIKeyVLEAYEDIGNNUNW-AWEZNQCLSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154366
N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154364
N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154368
6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265478
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine
CID 69076273
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine
CID 117327427
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82542063

Frequently Asked Questions

What is the IUPAC name of (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (CID 25154534) is (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is Cc1nn(C)c(C)c1-c1ccc2c(c1)[C@@H](N)CC2.
What is the InChIKey of (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VLEAYEDIGNNUNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3/c1-9-15(10(2)18(3)17-9)12-5-4-11-6-7-14(16)13(11)8-12/h4-5,8,14H,6-7,16H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25154534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).