1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine

C17H24N4 — CID 63153025

IUPAC1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCCc2ccccc2C1
InChIInChI=1S/C17H24N4/c1-13-16(11-18-2)17(20(3)19-13)21-10-6-9-14-7-4-5-8-15(14)12-21/h4-5,7-8,18H,6,9-12H2,1-3H3
InChIKeyANFXNXBWOLAMAQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.40
Rot. Bonds3

About 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 63153025) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID63153025
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCCc2ccccc2C1
InChIInChI=1S/C17H24N4/c1-13-16(11-18-2)17(20(3)19-13)21-10-6-9-14-7-4-5-8-15(14)12-21/h4-5,7-8,18H,6,9-12H2,1-3H3
InChIKeyANFXNXBWOLAMAQ-UHFFFAOYSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine (CID 63153025) is 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1N1CCCc2ccccc2C1.
What is the InChIKey of 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is ANFXNXBWOLAMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-16(11-18-2)17(20(3)19-13)21-10-6-9-14-7-4-5-8-15(14)12-21/h4-5,7-8,18H,6,9-12H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63153025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).