N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine

C13H15N3 — CID 43534709

IUPACN-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(NC2Cc3ccccc3C2)cn1
InChIInChI=1S/C13H15N3/c1-16-9-13(8-14-16)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeyXODKRWNMPQOAAU-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.00
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine (PubChem CID 43534709) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
PubChem CID43534709
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(NC2Cc3ccccc3C2)cn1
InChIInChI=1S/C13H15N3/c1-16-9-13(8-14-16)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeyXODKRWNMPQOAAU-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine (CID 43534709) is N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine is Cn1cc(NC2Cc3ccccc3C2)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine?
The InChIKey is XODKRWNMPQOAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-13(8-14-16)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,8-9,12,15H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).