N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C17H23N3 — CID 81298471

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1cnn(C)c1C)CC2
InChIInChI=1S/C17H23N3/c1-11-5-6-14-7-8-17(15(14)9-11)19-12(2)16-10-18-20(4)13(16)3/h5-6,9-10,12,17,19H,7-8H2,1-4H3
InChIKeyGNDKQQPZZMFKPQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 81298471) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID81298471
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1cnn(C)c1C)CC2
InChIInChI=1S/C17H23N3/c1-11-5-6-14-7-8-17(15(14)9-11)19-12(2)16-10-18-20(4)13(16)3/h5-6,9-10,12,17,19H,7-8H2,1-4H3
InChIKeyGNDKQQPZZMFKPQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11653652
CID 11653652
CID 11660270
CID 11660270
CID 91896033
CID 91896033
CID 91896035
CID 91896035
CID 91896039
CID 91896039
CID 91896040
CID 91896040
CID 44587235
CID 44587235
CID 2986538
CID 2986538
CID 91896031
CID 91896031
CID 91896038
CID 91896038
CID 16188219
CID 16188219
CID 44587295
CID 44587295

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 81298471) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NC(C)c1cnn(C)c1C)CC2.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GNDKQQPZZMFKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-5-6-14-7-8-17(15(14)9-11)19-12(2)16-10-18-20(4)13(16)3/h5-6,9-10,12,17,19H,7-8H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81298471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).