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

C16H21N3 — CID 112705320

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1cn(C)nc1C)CC2
InChIInChI=1S/C16H21N3/c1-11-4-5-13-6-7-16(15(13)8-11)17-9-14-10-19(3)18-12(14)2/h4-5,8,10,16-17H,6-7,9H2,1-3H3
InChIKeyUVZMVLVUZUTWIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds3

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 112705320) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID112705320
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1cn(C)nc1C)CC2
InChIInChI=1S/C16H21N3/c1-11-4-5-13-6-7-16(15(13)8-11)17-9-14-10-19(3)18-12(14)2/h4-5,8,10,16-17H,6-7,9H2,1-3H3
InChIKeyUVZMVLVUZUTWIW-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948037
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948041
N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78948023
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 112668507
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78948024
N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81333353
6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103872004
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781821
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
1-methyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine
CID 81300616

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 112705320) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1cn(C)nc1C)CC2.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UVZMVLVUZUTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-4-5-13-6-7-16(15(13)8-11)17-9-14-10-19(3)18-12(14)2/h4-5,8,10,16-17H,6-7,9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 112705320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).