[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine

C14H16N4 — CID 82387823

IUPAC[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESCc1cccc2c1cc(-c1cc(CN)[nH]n1)n2C
InChIInChI=1S/C14H16N4/c1-9-4-3-5-13-11(9)7-14(18(13)2)12-6-10(8-15)16-17-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyLHRMXYSEFMYCRV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.34
Rot. Bonds2

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

[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82387823) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID82387823
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESCc1cccc2c1cc(-c1cc(CN)[nH]n1)n2C
InChIInChI=1S/C14H16N4/c1-9-4-3-5-13-11(9)7-14(18(13)2)12-6-10(8-15)16-17-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyLHRMXYSEFMYCRV-UHFFFAOYSA-N
XLogP2.34
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82477320
5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
CID 115107860
[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82474207
(1,4-dimethylindol-2-yl)methanol
CID 117120333
ethane;1,2,4-trimethylindole
CID 91318944
2-tert-butyl-1,4-dimethylindole
CID 121356408
[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82468172
[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine
CID 115114017
[3-(furan-2-yl)-1H-pyrazol-5-yl]methanamine;hydrochloride
CID 166403130
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
CID 62112168

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine (CID 82387823) is [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine is Cc1cccc2c1cc(-c1cc(CN)[nH]n1)n2C.
What is the InChIKey of [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is LHRMXYSEFMYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-4-3-5-13-11(9)7-14(18(13)2)12-6-10(8-15)16-17-12/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine?
[3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82387823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).