N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine

C17H22N4 — CID 107236118

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H22N4/c1-12-15-7-5-6-8-16(15)21(4)17(12)10-18-9-14-11-20(3)19-13(14)2/h5-8,11,18H,9-10H2,1-4H3
InChIKeyCPQIJLIDHHTLEO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.82
Rot. Bonds4

About N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine

N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 107236118) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID107236118
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H22N4/c1-12-15-7-5-6-8-16(15)21(4)17(12)10-18-9-14-11-20(3)19-13(14)2/h5-8,11,18H,9-10H2,1-4H3
InChIKeyCPQIJLIDHHTLEO-UHFFFAOYSA-N
XLogP2.82
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 107235688
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107235680
N-[(1,3-dimethylindol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 107235601
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234683
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 115768047
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351
1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107235482
2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235840

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine (CID 107236118) is N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine is Cc1nn(C)cc1CNCc1c(C)c2ccccc2n1C.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is CPQIJLIDHHTLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-15-7-5-6-8-16(15)21(4)17(12)10-18-9-14-11-20(3)19-13(14)2/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 107236118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).