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

C16H21N3 — CID 75383057

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1cnn(CCCNC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H21N3/c1-13-11-18-19(12-13)8-4-7-17-16-9-14-5-2-3-6-15(14)10-16/h2-3,5-6,11-12,16-17H,4,7-10H2,1H3
InChIKeyFUVZATZJWPXUHR-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.34
Rot. Bonds5

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

N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 75383057) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID75383057
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1cnn(CCCNC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H21N3/c1-13-11-18-19(12-13)8-4-7-17-16-9-14-5-2-3-6-15(14)10-16/h2-3,5-6,11-12,16-17H,4,7-10H2,1H3
InChIKeyFUVZATZJWPXUHR-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine (CID 75383057) is N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine is Cc1cnn(CCCNC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FUVZATZJWPXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-11-18-19(12-13)8-4-7-17-16-9-14-5-2-3-6-15(14)10-16/h2-3,5-6,11-12,16-17H,4,7-10H2,1H3.
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 75383057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).