4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide

C20H20N4O — CID 118720606

IUPAC4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C20H20N4O/c25-20(16-3-1-14(2-4-16)18-12-22-23-13-18)24-19-6-5-15-7-9-21-10-8-17(15)11-19/h1-6,11-13,21H,7-10H2,(H,22,23)(H,24,25)
InChIKeyLUXXAHIOJORIAZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.02
Rot. Bonds3

About 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide

4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide (PubChem CID 118720606) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
PubChem CID118720606
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C20H20N4O/c25-20(16-3-1-14(2-4-16)18-12-22-23-13-18)24-19-6-5-15-7-9-21-10-8-17(15)11-19/h1-6,11-13,21H,7-10H2,(H,22,23)(H,24,25)
InChIKeyLUXXAHIOJORIAZ-UHFFFAOYSA-N
XLogP3.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide (CID 118720606) is 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide is O=C(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
The InChIKey is LUXXAHIOJORIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(16-3-1-14(2-4-16)18-12-22-23-13-18)24-19-6-5-15-7-9-21-10-8-17(15)11-19/h1-6,11-13,21H,7-10H2,(H,22,23)(H,24,25).
What are the key properties of 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide is sourced from PubChem (CID 118720606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).