1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

C16H21N3 — CID 65410721

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)C1Cc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-3-19-15(8-9-18-19)16(17-2)14-10-12-6-4-5-7-13(12)11-14/h4-9,14,16-17H,3,10-11H2,1-2H3
InChIKeyOFYMZERMRWPYEU-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 65410721) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID65410721
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)C1Cc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-3-19-15(8-9-18-19)16(17-2)14-10-12-6-4-5-7-13(12)11-14/h4-9,14,16-17H,3,10-11H2,1-2H3
InChIKeyOFYMZERMRWPYEU-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-propylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 65405561
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
N-[(2-ethylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 65404205
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 64984212
1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857909
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64984270
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79092954
1-(1,1-dioxothian-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115858133
[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105234135
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65409933

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (CID 65410721) is 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1nccc1C(NC)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is OFYMZERMRWPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19-15(8-9-18-19)16(17-2)14-10-12-6-4-5-7-13(12)11-14/h4-9,14,16-17H,3,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 65410721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).