N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C20H21N3 — CID 47020638

IUPACN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccc(-n2cccn2)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H21N3/c1-22(20-12-9-17-5-2-3-6-19(17)20)15-16-7-10-18(11-8-16)23-14-4-13-21-23/h2-8,10-11,13-14,20H,9,12,15H2,1H3
InChIKeyAGFZHTISROCYEO-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.99
Rot. Bonds4

About N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 47020638) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID47020638
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccc(-n2cccn2)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H21N3/c1-22(20-12-9-17-5-2-3-6-19(17)20)15-16-7-10-18(11-8-16)23-14-4-13-21-23/h2-8,10-11,13-14,20H,9,12,15H2,1H3
InChIKeyAGFZHTISROCYEO-UHFFFAOYSA-N
XLogP3.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 56525607
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 70736931
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43688255
1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 56815110
(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 124812147
1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 138387699
N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592536
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 47020638) is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is CN(Cc1ccc(-n2cccn2)cc1)C1CCc2ccccc21.
What is the InChIKey of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AGFZHTISROCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-22(20-12-9-17-5-2-3-6-19(17)20)15-16-7-10-18(11-8-16)23-14-4-13-21-23/h2-8,10-11,13-14,20H,9,12,15H2,1H3.
What are the key properties of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 303.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 47020638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).