N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C13H16N4 — CID 113361432

IUPACN-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1cn[nH]c1
InChIInChI=1S/C13H16N4/c1-2-4-12-10(3-1)7-14-6-5-13(12)17-11-8-15-16-9-11/h1-4,8-9,13-14,17H,5-7H2,(H,15,16)
InChIKeyIGLYPMHVHXMEQJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.06
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 113361432) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID113361432
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1cn[nH]c1
InChIInChI=1S/C13H16N4/c1-2-4-12-10(3-1)7-14-6-5-13(12)17-11-8-15-16-9-11/h1-4,8-9,13-14,17H,5-7H2,(H,15,16)
InChIKeyIGLYPMHVHXMEQJ-UHFFFAOYSA-N
XLogP2.06
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine
CID 43539897
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981456
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
CID 103981186

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 113361432) is N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is IGLYPMHVHXMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-12-10(3-1)7-14-6-5-13(12)17-11-8-15-16-9-11/h1-4,8-9,13-14,17H,5-7H2,(H,15,16).
What are the key properties of N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 113361432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).