[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

C14H18N4 — CID 43122264

IUPAC[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCc3ccccc32)c1CN
InChIInChI=1S/C14H18N4/c1-10-12(9-15)14(17(2)16-10)18-8-7-11-5-3-4-6-13(11)18/h3-6H,7-9,15H2,1-2H3
InChIKeyWNZIACWOJCEYQQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.88
Rot. Bonds2

About [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 43122264) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID43122264
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCc3ccccc32)c1CN
InChIInChI=1S/C14H18N4/c1-10-12(9-15)14(17(2)16-10)18-8-7-11-5-3-4-6-13(11)18/h3-6H,7-9,15H2,1-2H3
InChIKeyWNZIACWOJCEYQQ-UHFFFAOYSA-N
XLogP1.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751129
5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757894
[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine
CID 28965388
[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methanamine
CID 102545843
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
CID 63535828
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole
CID 141099377
5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine
CID 55049999
[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine
CID 81047291
(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methanamine
CID 63758578
[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 63024532

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (CID 43122264) is [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is Cc1nn(C)c(N2CCc3ccccc32)c1CN.
What is the InChIKey of [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is WNZIACWOJCEYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-12(9-15)14(17(2)16-10)18-8-7-11-5-3-4-6-13(11)18/h3-6H,7-9,15H2,1-2H3.
What are the key properties of [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 43122264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).