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

C14H16N4 — CID 82477320

IUPAC[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2cc(CN)[nH]n2)c2ccccc2n1C
InChIInChI=1S/C14H16N4/c1-9-14(12-7-10(8-15)16-17-12)11-5-3-4-6-13(11)18(9)2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeySBDOLQBDZXJWDM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.34
Rot. Bonds2

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

[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82477320) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID82477320
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2cc(CN)[nH]n2)c2ccccc2n1C
InChIInChI=1S/C14H16N4/c1-9-14(12-7-10(8-15)16-17-12)11-5-3-4-6-13(11)18(9)2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeySBDOLQBDZXJWDM-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-(1,4-dimethylindol-2-yl)-1H-pyrazol-5-yl]methanamine
CID 82387823
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
CID 82039944
2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 82482255
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82482608
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
CID 82287964
[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
3-iodo-1,2-dimethylindole
CID 19093282
1,4-dimethyl-2H-pyrazolo[3,4-b]indole
CID 134515346
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine (CID 82477320) is [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine is Cc1c(-c2cc(CN)[nH]n2)c2ccccc2n1C.
What is the InChIKey of [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is SBDOLQBDZXJWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-14(12-7-10(8-15)16-17-12)11-5-3-4-6-13(11)18(9)2/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of [3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine?
[3-(1,2-dimethylindol-3-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-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82477320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).