[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine

C14H17N3 — CID 83850139

IUPAC[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2ccc3c(c2)CCC3)n[nH]c1CN
InChIInChI=1S/C14H17N3/c1-9-13(8-15)16-17-14(9)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8,15H2,1H3,(H,16,17)
InChIKeyZDYQVQSLVCOBDO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.33
Rot. Bonds2

About [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine

[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine (PubChem CID 83850139) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
PubChem CID83850139
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2ccc3c(c2)CCC3)n[nH]c1CN
InChIInChI=1S/C14H17N3/c1-9-13(8-15)16-17-14(9)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8,15H2,1H3,(H,16,17)
InChIKeyZDYQVQSLVCOBDO-UHFFFAOYSA-N
XLogP2.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82305674
[4-bromo-3-(3,4-dihydro-2H-thiochromen-6-yl)-1H-pyrazol-5-yl]methanamine
CID 84606128
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine
CID 66481637
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
[6-(2,3-dihydro-1H-inden-5-yl)pyridazin-3-yl]methanamine
CID 82287618
[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847041
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
4-(2,3-dihydro-1H-inden-5-yl)-2,6-dimethylpyrimidin-5-amine
CID 82388247

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine (CID 83850139) is [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine is Cc1c(-c2ccc3c(c2)CCC3)n[nH]c1CN.
What is the InChIKey of [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine?
The InChIKey is ZDYQVQSLVCOBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-13(8-15)16-17-14(9)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8,15H2,1H3,(H,16,17).
What are the key properties of [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine?
[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 83850139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).