N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine

C17H24N4 — CID 126841891

IUPACN,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine
SMILESCN(C)C1CCc2ccccc2N(Cc2cnn(C)c2)C1
InChIInChI=1S/C17H24N4/c1-19(2)16-9-8-15-6-4-5-7-17(15)21(13-16)12-14-10-18-20(3)11-14/h4-7,10-11,16H,8-9,12-13H2,1-3H3
InChIKeySROKDJCZIDIBGB-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.30
Rot. Bonds3

About N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine

N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine (PubChem CID 126841891) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine
PubChem CID126841891
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine
SMILESCN(C)C1CCc2ccccc2N(Cc2cnn(C)c2)C1
InChIInChI=1S/C17H24N4/c1-19(2)16-9-8-15-6-4-5-7-17(15)21(13-16)12-14-10-18-20(3)11-14/h4-7,10-11,16H,8-9,12-13H2,1-3H3
InChIKeySROKDJCZIDIBGB-UHFFFAOYSA-N
XLogP2.30
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 95182891
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815442
(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline
CID 125141740
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575
4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
CID 55040438
3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 167943243
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 72898443
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one
CID 114996949
2-(2-fluorophenyl)-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 126463507
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799415

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine?
The IUPAC name of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine (CID 126841891) is N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine is CN(C)C1CCc2ccccc2N(Cc2cnn(C)c2)C1.
What is the InChIKey of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine?
The InChIKey is SROKDJCZIDIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-19(2)16-9-8-15-6-4-5-7-17(15)21(13-16)12-14-10-18-20(3)11-14/h4-7,10-11,16H,8-9,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine?
N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine is sourced from PubChem (CID 126841891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).