N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine

C16H21N3 — CID 91839170

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCCn1ccc(CN(C)C2Cc3ccccc3C2)n1
InChIInChI=1S/C16H21N3/c1-3-19-9-8-15(17-19)12-18(2)16-10-13-6-4-5-7-14(13)11-16/h4-9,16H,3,10-12H2,1-2H3
InChIKeyYMTRNGUWCMVQKE-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.50
Rot. Bonds4

About N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 91839170) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID91839170
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCCn1ccc(CN(C)C2Cc3ccccc3C2)n1
InChIInChI=1S/C16H21N3/c1-3-19-9-8-15(17-19)12-18(2)16-10-13-6-4-5-7-14(13)11-16/h4-9,16H,3,10-12H2,1-2H3
InChIKeyYMTRNGUWCMVQKE-UHFFFAOYSA-N
XLogP2.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine (CID 91839170) is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine is CCn1ccc(CN(C)C2Cc3ccccc3C2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YMTRNGUWCMVQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19-9-8-15(17-19)12-18(2)16-10-13-6-4-5-7-14(13)11-16/h4-9,16H,3,10-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 91839170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).