N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C17H24N4 — CID 43247635

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCN(C)c1ccc(CNC2CCCc3c2cnn3C)cc1
InChIInChI=1S/C17H24N4/c1-20(2)14-9-7-13(8-10-14)11-18-16-5-4-6-17-15(16)12-19-21(17)3/h7-10,12,16,18H,4-6,11H2,1-3H3
InChIKeyCLRUDTBNPLCOLR-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.65
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43247635) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43247635
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCN(C)c1ccc(CNC2CCCc3c2cnn3C)cc1
InChIInChI=1S/C17H24N4/c1-20(2)14-9-7-13(8-10-14)11-18-16-5-4-6-17-15(16)12-19-21(17)3/h7-10,12,16,18H,4-6,11H2,1-3H3
InChIKeyCLRUDTBNPLCOLR-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
CID 43617025
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 66414749
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 106391848
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
N-[(5-bromothiophen-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435382
5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
CID 63316834

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43247635) is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CN(C)c1ccc(CNC2CCCc3c2cnn3C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is CLRUDTBNPLCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20(2)14-9-7-13(8-10-14)11-18-16-5-4-6-17-15(16)12-19-21(17)3/h7-10,12,16,18H,4-6,11H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43247635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).